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3,4-Methylenedioxyamphetamine HFBA Derivative

View entire compound with spectra: 1 NMR, and 3 MS (GC)

3,4-Methylenedioxyamphetamine HFBA Derivative
SpectraBase Compound ID CkfYfVmtnGI
InChI InChI=1S/C14H12F7NO3/c1-7(4-8-2-3-9-10(5-8)25-6-24-9)22-11(23)12(15,16)13(17,18)14(19,20)21/h2-3,5,7H,4,6H2,1H3,(H,22,23)
InChIKey HIHQJXYXAUVMOH-UHFFFAOYSA-N
Mol Weight 375.24 g/mol
Molecular Formula C14H12F7NO3
Exact Mass 375.07054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUcCILL97Ai
Name Methylenedioxyamphetamine, N-heptafluorobutyryl deriv.
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.070540388 u
Formula C14H12F7NO3
InChI InChI=1S/C14H12F7NO3/c1-7(4-8-2-3-9-10(5-8)25-6-24-9)22-11(23)12(15,16)13(17,18)14(19,20)21/h2-3,5,7H,4,6H2,1H3,(H,22,23)
InChIKey HIHQJXYXAUVMOH-UHFFFAOYSA-N
Molecular Weight 375.243 g/mol
SMILES C1=C2OCOC2=CC(=C1)CC(NC(C(C(F)(F)C(F)(F)F)(F)F)=O)C