| SpectraBase Spectrum ID |
E3WW8YTBfjB |
| Name |
7-Isopropyl-1-methylnaphthalene, compound with 2,4,6-trinitroresorcinol (1:1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.117214576 u |
| Formula |
C20H19N3O8 |
| InChI |
InChI=1S/C14H16.C6H3N3O8/c1-10(2)13-8-7-12-6-4-5-11(3)14(12)9-13;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h4-10H,1-3H3;1,10-11H |
| InChIKey |
KAWYUTNAUFMTFM-UHFFFAOYSA-N |
| Molecular Weight |
429.385 g/mol |
| SMILES |
N(=O)(=O)C=1C=C(C(=C(C1O)N(=O)=O)O)N(=O)=O.CC(C1=CC=2C(C)=CC=CC2C=C1)C |
| Spectrum/Structure Validation Score (Raman) |
0.930927 |
