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N-(3-Hydroxy-3-p-tolylpropyl)acetamide
SpectraBase Compound ID CokfYmRuIDI
InChI InChI=1S/C12H17NO2/c1-9-3-5-11(6-4-9)12(15)7-8-13-10(2)14/h3-6,12,15H,7-8H2,1-2H3,(H,13,14)
InChIKey GRKDCEIIEPWXQD-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1SQwXa1rViE
Name N-(3-Hydroxy-3-p-tolylpropyl)acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-9-3-5-11(6-4-9)12(15)7-8-13-10(2)14/h3-6,12,15H,7-8H2,1-2H3,(H,13,14)
InChIKey GRKDCEIIEPWXQD-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES C(C)(=O)NCCC(C=1C=CC(=CC1)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863226