| SpectraBase Spectrum ID |
C6N5Xn3b7uX |
| Name |
(E)-3-(Phenacylamino)-2-butenal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.094628661 u |
| Formula |
C12H13NO2 |
| InChI |
InChI=1S/C12H13NO2/c1-10(7-8-14)13-9-12(15)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3/b10-7+ |
| InChIKey |
RKSGFOUFTQOAJV-JXMROGBWSA-N |
| Molecular Weight |
203.241 g/mol |
| SMILES |
C(N\C(=C\C=O)C)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934167 |
