| SpectraBase Spectrum ID |
DheGnDic3cg |
| Name |
1,1':3',1''-Terphenyl, 4-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.094628661 u |
| Formula |
C18H13NO2 |
| InChI |
InChI=1S/C18H13NO2/c20-19(21)18-11-9-15(10-12-18)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-13H |
| InChIKey |
OPHZVADKAAXLLR-UHFFFAOYSA-N |
| Molecular Weight |
275.307 g/mol |
| SMILES |
C=1C=CC(C=2C=CC(=CC2)[N+](=O)[O-])=CC1C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941951 |
