| SpectraBase Spectrum ID |
6pkPf2qPt5C |
| Name |
1,1'-Biphenyl, 2,6-dimethyl-4'-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.094628661 u |
| Formula |
C14H13NO2 |
| InChI |
InChI=1S/C14H13NO2/c1-10-4-3-5-11(2)14(10)12-6-8-13(9-7-12)15(16)17/h3-9H,1-2H3 |
| InChIKey |
CYZXXOFZQNSXRF-UHFFFAOYSA-N |
| Molecular Weight |
227.263 g/mol |
| SMILES |
CC1=CC=CC(C)=C1C1=CC=C(C=C1)[N+]([O-])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804929 |
