| SpectraBase Spectrum ID |
ActvfcaLRdK |
| Name |
Benzeneethanol, 2-nitro-.alpha.-(4-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.074621489 u |
| Formula |
C14H12N2O5 |
| InChI |
InChI=1S/C14H12N2O5/c17-14(10-5-7-12(8-6-10)15(18)19)9-11-3-1-2-4-13(11)16(20)21/h1-8,14,17H,9H2 |
| InChIKey |
SIXJPYJTOIHNTH-UHFFFAOYSA-N |
| SMILES |
C=1(N(=O)=O)C(CC(C=2C=CC(N(=O)=O)=CC2)O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938194 |
