| SpectraBase Spectrum ID |
HjjecE2wtkD |
| Name |
o-Anisic acid, 4-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.063722453 u |
| Formula |
C14H11NO5 |
| InChI |
InChI=1S/C14H11NO5/c1-19-13-5-3-2-4-12(13)14(16)20-11-8-6-10(7-9-11)15(17)18/h2-9H,1H3 |
| InChIKey |
CPBMFVDCDPNIMB-UHFFFAOYSA-N |
| Molecular Weight |
273.244 g/mol |
| SMILES |
C1=CC=C(C(=C1)C(OC1=CC=C(C=C1)N(=O)=O)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956899 |
