| SpectraBase Spectrum ID |
HhRMsYhZW9R |
| Name |
2-Nitro-1,3-diphenylbenzene |
| 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)18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13H |
| InChIKey |
HHIZSCXROJFEQD-UHFFFAOYSA-N |
| Molecular Weight |
275.307 g/mol |
| SMILES |
C1(N(=O)=O)=C(C2=CC=CC=C2)C=CC=C1C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898321 |
