| SpectraBase Spectrum ID |
Fs2RuZlrzJ7 |
| Name |
Benzo[B]triphenylene, 11-methyl-9,14-bis(4-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
534.157957192 u |
| Formula |
C35H22N2O4 |
| InChI |
InChI=1S/C35H22N2O4/c1-21-10-19-30-31(20-21)33(23-13-17-25(18-14-23)37(40)41)35-29-9-5-3-7-27(29)26-6-2-4-8-28(26)34(35)32(30)22-11-15-24(16-12-22)36(38)39/h2-20H,1H3 |
| InChIKey |
CUBUGVRRQITZSW-UHFFFAOYSA-N |
| Molecular Weight |
534.571 g/mol |
| SMILES |
C=12C(=C(C3=CC=C(N(=O)=O)C=C3)C=3C(C1C=1C=CC(N(=O)=O)=CC1)=CC(=CC3)C)C1=CC=CC=C1C=1C2=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905221 |
![Benzo[b]triphenylene, 11-methyl-9,14-bis(4-nitrophenyl)-](/api/spectrum/Fs2RuZlrzJ7/structure.png?h=300&w=458 "Benzo[b]triphenylene, 11-methyl-9,14-bis(4-nitrophenyl)-")
