SpectraBase Spectrum ID |
6f2tr1CCN16 |
Name |
(E)-N-(4-Hydroxyphenethyl)-2-methylbut-2-enamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.125928789 u |
Formula |
C13H17NO2 |
InChI |
InChI=1S/C13H17NO2/c1-3-10(2)13(16)14-9-8-11-4-6-12(15)7-5-11/h3-7,15H,8-9H2,1-2H3,(H,14,16)/b10-3+ |
InChIKey |
KBPGZGWIOKMRCS-XCVCLJGOSA-N |
Molecular Weight |
219.284 g/mol |
SMILES |
C1(=CC=C(C=C1)O)CCNC(\C(=C\C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832407 |