SpectraBase Spectrum ID |
2d0N2JjnfcS |
Name |
N-(2-Methyl-5-methylol-phenyl)acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
179.094628661 u |
Formula |
C10H13NO2 |
InChI |
InChI=1S/C10H13NO2/c1-7-3-4-9(6-12)5-10(7)11-8(2)13/h3-5,12H,6H2,1-2H3,(H,11,13) |
InChIKey |
BASDRDUBUMSFHS-UHFFFAOYSA-N |
Molecular Weight |
179.219 g/mol |
SMILES |
C=1(NC(=O)C)C(=CC=C(C1)CO)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828122 |