| SpectraBase Spectrum ID |
DDhKZGVIR6G |
| Name |
Benzoic acid, 2-[3-hydroxy-5-(methoxycarbonyl)phenoxy]-3-nitro-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.064116375 u |
| Formula |
C16H13NO8 |
| InChI |
InChI=1S/C16H13NO8/c1-23-15(19)9-6-10(18)8-11(7-9)25-14-12(16(20)24-2)4-3-5-13(14)17(21)22/h3-8,18H,1-2H3 |
| InChIKey |
FPRZCSQELDGENO-UHFFFAOYSA-N |
| Molecular Weight |
347.279 g/mol |
| SMILES |
C1(=C(N(=O)=O)C=CC=C1C(=O)OC)OC=1C=C(C(=O)OC)C=C(C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9133 |
![Benzoic acid, 2-[3-hydroxy-5-(methoxycarbonyl)phenoxy]-3-nitro-, methyl ester](/api/spectrum/DDhKZGVIR6G/structure.png?h=300&w=458 "Benzoic acid, 2-[3-hydroxy-5-(methoxycarbonyl)phenoxy]-3-nitro-, methyl ester")
