| SpectraBase Spectrum ID |
ASukXIQ7vBf |
| Name |
2-Methoxy-benzoic 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 |
315.074287137 u |
| Formula |
C16H13NO6 |
| InChI |
InChI=1S/C16H13NO6/c1-22-15-5-3-2-4-13(15)16(19)23-10-14(18)11-6-8-12(9-7-11)17(20)21/h2-9H,10H2,1H3 |
| InChIKey |
UFICAKQOIWBEHB-UHFFFAOYSA-N |
| Molecular Weight |
315.281 g/mol |
| SMILES |
C1=CC=C(C(OCC(C=2C=CC(N(=O)=O)=CC2)=O)=O)C(=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919531 |
