| 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 |