SpectraBase Spectrum ID |
FiVHNOoxWyy |
Name |
N-[2-[(1E)-1-Ethoxybuta-1,3-dienyl]phenyl]acetamide |
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/c1-4-8-14(17-5-2)12-9-6-7-10-13(12)15-11(3)16/h4,6-10H,1,5H2,2-3H3,(H,15,16)/b14-8+ |
InChIKey |
XBPTWAJAYQKTBR-RIYZIHGNSA-N |
Molecular Weight |
231.295 g/mol |
SMILES |
C=1(C(NC(=O)C)=CC=CC1)\C(=C/C=C)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841177 |