SpectraBase Spectrum ID |
BQjOxczLalS |
Name |
2-Nitrophenyl-3-methoxybenzoate |
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/c1-19-11-6-4-5-10(9-11)14(16)20-13-8-3-2-7-12(13)15(17)18/h2-9H,1H3 |
InChIKey |
HXCMWRLQVDWMHG-UHFFFAOYSA-N |
Molecular Weight |
273.244 g/mol |
SMILES |
C=1(N(=O)=O)C(OC(C=2C=C(OC)C=CC2)=O)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940968 |