| SpectraBase Spectrum ID |
JFooxMrmopE |
| Name |
N-Hydroxy-1-(3,4-methylenedioxyphenyl)butan-2-amine-A (-H2O) TFA |
| Classification |
Phenylbutanamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
287.076927736 u |
| Formula |
C13H12F3NO3 |
| InChI |
InChI=1S/C13H12F3NO3/c1-2-9(17-12(18)13(14,15)16)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6H,2,5,7H2,1H3/b17-9+ |
| InChIKey |
NUWSSWVAKZXZTR-RQZCQDPDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
287.238 g/mol |
| Nominal Mass |
287 u |
| Quality |
883 |
| Retention Index |
2141 |
| SMILES |
C1=2C(=CC(C\C(=N\C(C(F)(F)F)=O)CC)=CC2)OCO1 |
| SPLASH |
splash10-000i-0950000000-6e625cf0f7df1b7b12d8 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(1-(1,3-benzodioxol-5-yl)butan-2-ylidene)(trifluoro)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002747 |
