| SpectraBase Spectrum ID |
J86wF4eN5zd |
| Name |
1-Phenoxy-2,4,6-trinitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.028399570 u |
| Formula |
C12H7N3O7 |
| InChI |
InChI=1S/C12H7N3O7/c16-13(17)8-6-10(14(18)19)12(11(7-8)15(20)21)22-9-4-2-1-3-5-9/h1-7H |
| InChIKey |
KDVCTAHYZJQAOH-UHFFFAOYSA-N |
| Molecular Weight |
305.202 g/mol |
| SMILES |
C1(N(=O)=O)=C(C(N(=O)=O)=CC(N(=O)=O)=C1)OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962461 |
