| SpectraBase Spectrum ID |
GVsbZRwtrQO |
| Name |
4-(3,4-Difluorophenyl)-3,5-dinitroheptane |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
302.107813325 u |
| Formula |
C13H16F2N2O4 |
| InChI |
InChI=1S/C13H16F2N2O4/c1-3-11(16(18)19)13(12(4-2)17(20)21)8-5-6-9(14)10(15)7-8/h5-7,11-13H,3-4H2,1-2H3 |
| InChIKey |
FHEQVGHCIVEVQW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
302.278 g/mol |
| Nominal Mass |
302 u |
| Quality |
847 |
| Retention Index |
1782 |
| SMILES |
C(C1=CC(=C(C=C1)F)F)(C([N+](=O)[O-])CC)C([N+](=O)[O-])CC |
| SPLASH |
splash10-0ar0-9800000000-be5278022678bb363eff |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(3,5-dinitroheptan-4-yl)-1,2-difluorobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004414 |
