| SpectraBase Spectrum ID |
GXEwuX38V72 |
| Name |
3,4-Dinitrotoluene |
| CAS Registry Number |
610-39-9 |
| Classification |
Explosive |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
182.032756677 u |
| Formula |
C7H6N2O4 |
| InChI |
InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3 |
| InChIKey |
INYDMNPNDHRJQJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
182.135 g/mol |
| Nominal Mass |
182 u |
| Quality |
993 |
| Retention Index |
1439 |
| SMILES |
C1(=C(C=C(C=C1)C)[N+](=O)[O-])[N+](=O)[O-] |
| SPLASH |
splash10-001i-9100000000-d315e2118c9926e5c5c1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methyl-1,2-dinitrobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001189 |
