associated peaks? Also what are the two main differences between the IR spectra for 4-aminophenol and acetaminophen The three IR spectra correspond to either: phenol, 4-aminophenol or acetaminophen, Note: The first set of numbers on the spectra below refer to the wavenumber of the peak. 3321.38cm-1, 81.67%T Summarized Raw Data of Quantum Mechanical Calculation Results (Free), Molecular Descriptors of 2,004 values in 24 Categories (Free), Mol-Instincts and ChemRTP have been cited, InChI=1S/C7H7NO/c8-5-6-2-1-3-7(9)4-6/h1-5,8-9H/b8-5+, Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Molecular Orbital Analysis in Addition to HOMO & LUMO, Normal Mode Vibrational Analysis with Animation, 3D Visualization and Analysis with Zooming and Rotation Features. An intelligent social networking platform for chemical experts to exchange chemical information, technologies, research articles, news, and more. Also what are the two main differences between the IR spectra for 4-aminophenol and acetaminophen, Note: The first set of numbers on the spectra below refer to the wavenumber of the peak. The IR spectra for Phenol, 3-(iminomethyl)- have been estimated based on the data derived from quantum mechanical computations under DFT (Density Functional Theory) in conjunction with prediction methods based upon advanced modeling approaches. 1560.48cm-1, 6187 %%T 2792.86cm-1, 86.50% T 835.74cm-1, 56.66%T number values: what functional groups do the molecules have and what regions can you find the Thank you! Alcohol/Phenol O-H Stretch: 3550 - 3200 (broad, s) See "Free vs. Hyrdogen-Bonded Hydroxyl Groups" in the Introduction to IR Spectra for more information: Carboxylic Acid O-H Stretch: 3000 - 2500 (broad, v) Amine N-H Stretch: 3500 - 3300 (m) Primary amines produce two N-H stretch absorptions, secondary amides only one, and tetriary none. As an illustration, a snapshot of the chart of IR spectra for cholesterol is given below: Please refer to the “How Accurate Are They?” in our IR spectra page. 3500 60 Note that all data and information presented on these webpages rely on Mol-Instincts or ChemRTP platforms. The table lists the vibrational frequencies and IR intensities. In physical and analytical chemistry, infrared spectroscopy (IR spectroscopy) is a technique used to identify chemical compounds based on the way infrared … An infrared spectroscopy correlation table (or table of infrared absorption frequencies) is a list of absorption peaks and frequencies, typically reported in wavenumber, for common types of molecular bonds and functional groups. The anticipated amount of data and information to be published is up to 10 billion sets. However we request visitors to our database not to download more than 50 spectra and/or compound information in one day. Spectrum 1: The IR spectrum table and chart are provided via a web-based graphical user interface (GUI). Hopefully, these problems will provide a useful resource to better understand spectroscopy. 4-Chloro-2-nitrophenol, KBr pellet: Figure 29. Source: Mol-Instincts Chemical Database, Predicted on Quantum. Mol-Instincts is a fundamental chemical database powered by 41 patented technologies founded on quantum mechanics, statistical thermodynamics, QSPR (Quantitative Structure-Property Relationship), and an artificial neural network based AI (Artificial Intelligence).