| SpectraBase Spectrum ID |
8pyMfJizUzx |
| Name |
Phthalic acid, ethyl 4-nitrophenyl 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/c1-2-22-15(18)13-5-3-4-6-14(13)16(19)23-12-9-7-11(8-10-12)17(20)21/h3-10H,2H2,1H3 |
| InChIKey |
AZSVXTXRMYAIPO-UHFFFAOYSA-N |
| Molecular Weight |
315.281 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C=1C(C(=O)OCC)=CC=CC1)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978504 |
