| SpectraBase Spectrum ID |
FtmaozPKgg3 |
| Name |
4'-Phenoxy-2,4,6,-trinitrodiphenylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.070598735 u |
| Formula |
C18H12N4O7 |
| InChI |
InChI=1S/C18H12N4O7/c23-20(24)13-10-16(21(25)26)18(17(11-13)22(27)28)19-12-6-8-15(9-7-12)29-14-4-2-1-3-5-14/h1-11,19H |
| InChIKey |
XYHLXVACXKGEHH-UHFFFAOYSA-N |
| Molecular Weight |
396.315 g/mol |
| SMILES |
N(C1=CC=C(C=C1)OC=1C=CC=CC1)C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.729518 |
