| SpectraBase Spectrum ID |
GOHJoOqnYdl |
| Name |
(E)-3-Acetoxymethyl-4-(4'-nitrophenyl)-3-buten-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.079372518 u |
| Formula |
C13H13NO5 |
| InChI |
InChI=1S/C13H13NO5/c1-9(15)12(8-19-10(2)16)7-11-3-5-13(6-4-11)14(17)18/h3-7H,8H2,1-2H3/b12-7+ |
| InChIKey |
GDEPSJCZDFSZCH-KPKJPENVSA-N |
| Molecular Weight |
263.249 g/mol |
| SMILES |
CC(\C(=C\C=1C=CC(=CC1)[N+](=O)[O-])COC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854354 |
