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2-(3,4-Methylenedioxyphenyl)propan-1-amine TFA
SpectraBase Compound ID 90fGcfgVMrd
InChI InChI=1S/C12H12F3NO3/c1-7(5-16-11(17)12(13,14)15)8-2-3-9-10(4-8)19-6-18-9/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKey MXPOCBUJXULXQD-UHFFFAOYSA-N
Mol Weight 275.23 g/mol
Molecular Formula C12H12F3NO3
Exact Mass 275.076928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm9znY0fXY8
Name 2-(3,4-Methylenedioxyphenyl)propan-1-amine TFA
Classification beta-isomeric amphetamine derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 275.076927736 u
Formula C12H12F3NO3
InChI InChI=1S/C12H12F3NO3/c1-7(5-16-11(17)12(13,14)15)8-2-3-9-10(4-8)19-6-18-9/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKey MXPOCBUJXULXQD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 275.227 g/mol
Nominal Mass 275 u
Quality 947
Retention Index 1610
SMILES C(C(NCC(C=1C=C2C(=CC1)OCO2)C)=O)(F)(F)F
SPLASH splash10-01ow-2910000000-efafcc1cd0d754e6cc0b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-(1,3-benzodioxol-5-yl)propyl)(trifluoro)acetamide
Technique GC/MS
Wiley ID DD2024_002261