| SpectraBase Spectrum ID |
CXBd5cajTB3 |
| Name |
Phthalic acid, 2-nitrophenyl phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.074287137 u |
| Formula |
C20H13NO6 |
| InChI |
InChI=1S/C20H13NO6/c22-19(26-14-8-2-1-3-9-14)15-10-4-5-11-16(15)20(23)27-18-13-7-6-12-17(18)21(24)25/h1-13H |
| InChIKey |
FOUNDDCCEWSXGM-UHFFFAOYSA-N |
| Molecular Weight |
363.325 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OC1=CC=CC=C1)=O)C(OC1=CC=CC=C1N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930488 |
