| SpectraBase Spectrum ID |
4PiaY6GAQs |
| Name |
Benzoic acid, (4-methoxy-3-nitrophenyl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.079372518 u |
| Formula |
C15H13NO5 |
| InChI |
InChI=1S/C15H13NO5/c1-20-14-8-7-11(9-13(14)16(18)19)10-21-15(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3 |
| InChIKey |
FNYWSBFCTMNWGN-UHFFFAOYSA-N |
| SMILES |
COC1=C(C=C(COC(C2=CC=CC=C2)=O)C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903517 |
