| SpectraBase Spectrum ID |
3peEjv8t9ew |
| Name |
1,5-Dinitro-3-(3-methylphenyl)heptane I |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
280.142307128 u |
| Formula |
C14H20N2O4 |
| InChI |
InChI=1S/C14H20N2O4/c1-4-12(15(17)18)14(13(5-2)16(19)20)11-8-6-7-10(3)9-11/h6-9,12-14H,4-5H2,1-3H3 |
| InChIKey |
ZQJPLKIXXLBRQF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
280.324 g/mol |
| Nominal Mass |
280 u |
| Quality |
987 |
| Retention Index |
2140 |
| SMILES |
C(C([N+](=O)[O-])CC)(C([N+](=O)[O-])CC)C1=CC(=CC=C1)C |
| SPLASH |
splash10-0532-2900000000-c99ea625c9e47420ba12 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(3,5-dinitroheptan-4-yl)-3-methylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001175 |
