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(.+/-.)-3,4-methylenedioxyamphetamine, N,N-di-tfa

View entire compound with spectra: 1 NMR

(.+/-.)-3,4-methylenedioxyamphetamine, N,N-di-tfa
SpectraBase Compound ID 7Rx3e2KDmRJ
InChI InChI=1S/C14H11F6NO4/c1-7(4-8-2-3-9-10(5-8)25-6-24-9)21(11(22)13(15,16)17)12(23)14(18,19)20/h2-3,5,7H,4,6H2,1H3
InChIKey UTQUFSMUWXTYSB-UHFFFAOYSA-N
Mol Weight 371.24 g/mol
Molecular Formula C14H11F6NO4
Exact Mass 371.059227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXkqSVFaP1P
Name (.+/-.)-3,4-methylenedioxyamphetamine, N,N-di-tfa
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.059226812 u
Formula C14H11F6NO4
InChI InChI=1S/C14H11F6NO4/c1-7(4-8-2-3-9-10(5-8)25-6-24-9)21(11(22)13(15,16)17)12(23)14(18,19)20/h2-3,5,7H,4,6H2,1H3
InChIKey UTQUFSMUWXTYSB-UHFFFAOYSA-N
Molecular Weight 371.235 g/mol
SMILES C1(=CC=C2C(=C1)OCO2)CC(C)N(C(C(F)(F)F)=O)C(C(F)(F)F)=O