| SpectraBase Spectrum ID |
8J5QbrXggfA |
| Name |
1-(2,3-Methylenedioxyphenyl)butan-2-amine-A (+Cl,-H) TFA |
| Classification |
beta-isomeric phenylbutanamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
323.053605469 u |
| Formula |
C13H13ClF3NO3 |
| InChI |
InChI=1S/C13H13ClF3NO3/c1-2-8(18-12(19)13(15,16)17)5-7-3-4-9(14)11-10(7)20-6-21-11/h3-4,8H,2,5-6H2,1H3,(H,18,19) |
| InChIKey |
HVNPMEFBDAVSDD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
323.699 g/mol |
| Nominal Mass |
323 u |
| Quality |
981 |
| Retention Index |
2382 |
| SMILES |
C1=2C(CC(NC(C(F)(F)F)=O)CC)=CC=C(C2OCO1)Cl |
| SPLASH |
splash10-0w29-4920000000-fcefa30e6f0af63e3830 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(1-(7-chloro-1,3-benzodioxol-4-yl)butan-2-yl)(trifluoro)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002192 |
