| SpectraBase Spectrum ID |
Gr37R0hMosY |
| Name |
Benzoic acid, 4-(4-nitrobenzoyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.079372518 u |
| Formula |
C16H13NO5 |
| InChI |
InChI=1S/C16H13NO5/c1-2-22-16(19)13-5-3-11(4-6-13)15(18)12-7-9-14(10-8-12)17(20)21/h3-10H,2H2,1H3 |
| InChIKey |
SHCZCLVDUFEGFY-UHFFFAOYSA-N |
| Molecular Weight |
299.282 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C(C2=CC=C(C(=O)OCC)C=C2)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962279 |
