| SpectraBase Spectrum ID |
4rTlh10Ikb3 |
| Name |
Phenyl-acetic acid 2-(4-nitro-phenyl)-2-oxo-ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.079372518 u |
| Formula |
C16H13NO5 |
| InChI |
InChI=1S/C16H13NO5/c18-15(13-6-8-14(9-7-13)17(20)21)11-22-16(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChIKey |
BQSOIGAKYHKAMA-UHFFFAOYSA-N |
| Molecular Weight |
299.282 g/mol |
| SMILES |
C1=CC=C(C=C1)CC(OCC(C=1C=CC(N(=O)=O)=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904903 |
