SpectraBase Spectrum ID |
JFjMpAuSXQG |
Name |
1-(3,4-Methylenedioxyphenyl)butan-2-amine TFA |
Classification |
Phenylbutanamine designer drug derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
289.092577801 u |
Formula |
C13H14F3NO3 |
InChI |
InChI=1S/C13H14F3NO3/c1-2-9(17-12(18)13(14,15)16)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6,9H,2,5,7H2,1H3,(H,17,18) |
InChIKey |
JNYNPFJMLYQJQC-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
289.254 g/mol |
Nominal Mass |
289 u |
Quality |
907 |
Retention Index |
1684 |
SMILES |
C(NC(CC=1C=C2C(=CC1)OCO2)CC)(C(F)(F)F)=O |
SPLASH |
splash10-004r-1910000000-2e07b267d07da48cbcb7 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
BDB TFA
trifluoro-N-(1-(7-(trifluoroacetyl)-1,3-benzodioxol-5-yl)butan-2-yl)acetamide |
Technique |
GC/MS |
Wiley ID |
DD2024_002204 |