| SpectraBase Spectrum ID |
F9zHzzNfaJ |
| Name |
Benzoic acid, (4-chloro-3-nitrophenyl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.029835502 u |
| Formula |
C14H10ClNO4 |
| InChI |
InChI=1S/C14H10ClNO4/c15-12-7-6-10(8-13(12)16(18)19)9-20-14(17)11-4-2-1-3-5-11/h1-8H,9H2 |
| InChIKey |
PKYSTVRAGCEVSB-UHFFFAOYSA-N |
| SMILES |
C(C1=CC=CC=C1)(=O)OCC1=CC(=C(C=C1)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958889 |
