SpectraBase Spectrum ID |
57h6uZnt9Kd |
Name |
5-Phenyl-2-methyl-N-(2'-hydroxyethyl)-2,4-pentadienamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
231.125928789 u |
Formula |
C14H17NO2 |
InChI |
InChI=1S/C14H17NO2/c1-12(14(17)15-10-11-16)6-5-9-13-7-3-2-4-8-13/h2-9,16H,10-11H2,1H3,(H,15,17)/b9-5+,12-6+ |
InChIKey |
ZVLCHAVHDZHHPO-BGNLXQKFSA-N |
Molecular Weight |
231.295 g/mol |
SMILES |
C(\C(=C\C=C\C=1C=CC=CC1)C)(=O)NCCO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885142 |