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MBDB TFA
SpectraBase Compound ID FIcPpk7QOlY
InChI InChI=1S/C14H16F3NO3/c1-3-10(18(2)13(19)14(15,16)17)6-9-4-5-11-12(7-9)21-8-20-11/h4-5,7,10H,3,6,8H2,1-2H3
InChIKey PLRMHEIENKKHAR-UHFFFAOYSA-N
Mol Weight 303.28 g/mol
Molecular Formula C14H16F3NO3
Exact Mass 303.108228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJCgKbdNjoO
Name N-Methyl-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 303.108227865 u
Formula C14H16F3NO3
InChI InChI=1S/C14H16F3NO3/c1-3-10(18(2)13(19)14(15,16)17)6-9-4-5-11-12(7-9)21-8-20-11/h4-5,7,10H,3,6,8H2,1-2H3
InChIKey PLRMHEIENKKHAR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 303.281 g/mol
Nominal Mass 303 u
Quality 877
Retention Index 2254
SMILES C(N(C(CC=1C=C2C(=CC1)OCO2)CC)C)(C(F)(F)F)=O
SPLASH splash10-004i-0900000000-48c5e62c8862ed9a24ca
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms MBDB TFA N-(1-(1,3-benzodioxol-5-yl)butan-2-yl)(trifluoro)-N-methylacetamide
Technique GC/MS
Wiley ID DD2024_002851