SpectraBase Spectrum ID |
JH5xm8Jo7qi |
Name |
Mescaline TFA |
Classification |
Drug derivative |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
307.103142484 u |
Formula |
C13H16F3NO4 |
InChI |
InChI=1S/C13H16F3NO4/c1-19-9-6-8(7-10(20-2)11(9)21-3)4-5-17-12(18)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,18) |
InChIKey |
BIAVNBQAWXYNRI-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
307.269 g/mol |
Nominal Mass |
307 u |
Quality |
996 |
Retention Index |
1803 |
SMILES |
C(C(NCCC=1C=C(C(=C(C1)OC)OC)OC)=O)(F)(F)F |
SPLASH |
splash10-001i-2901000000-a2e637b0894f421e9e34 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
N-Trifluoroacetyl-2-(3,4,5-trimethoxyphenyl)ethanamine
trifluoro-N-(2-(3,4,5-trimethoxyphenyl)ethyl)acetamide |
Technique |
GC/MS |
Wiley ID |
DD2024_030823 |