SpectraBase Spectrum ID |
2OzozmjWBe0 |
Name |
2-Methoxy-4'-nitro-1,1'-biphenyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
229.073893215 u |
Formula |
C13H11NO3 |
InChI |
InChI=1S/C13H11NO3/c1-17-13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(15)16/h2-9H,1H3 |
InChIKey |
ABSAJMFYUWSMPL-UHFFFAOYSA-N |
Molecular Weight |
229.235 g/mol |
SMILES |
C=1(N(=O)=O)C=CC(C=2C(OC)=CC=CC2)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925538 |