| SpectraBase Spectrum ID |
KCErfAln9Da |
| Name |
1-(3,5-Di-(Trifluoromethyl)phenyl)-2-nitrobut-1-ene II |
| Classification |
Designer drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
313.053747510 u |
| Formula |
C12H9F6NO2 |
| InChI |
InChI=1S/C12H9F6NO2/c1-2-10(19(20)21)5-7-3-8(11(13,14)15)6-9(4-7)12(16,17)18/h3-6H,2H2,1H3/b10-5- |
| InChIKey |
BXCFEILGKBLYCK-YHYXMXQVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
313.199 g/mol |
| Nominal Mass |
313 u |
| Quality |
988 |
| Retention Index |
1334 |
| SMILES |
C(C1=CC(C(F)(F)F)=CC(=C1)\C=C\([N+](=O)[O-])CC)(F)(F)F |
| SPLASH |
splash10-004i-8960000000-238e74d5941a7e8c8e85 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(2-nitrobut-1-en-1-yl)-3,5-bis(trifluoromethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004497 |
