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Mescaline TFA
SpectraBase Compound ID Jwgjb9LIZqo
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
Mol Weight 307.27 g/mol
Molecular Formula C13H16F3NO4
Exact Mass 307.103142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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
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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