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(.+/-.)-N-propyl-3,4-methylenedioxyamphetamine, N-(heptafluorobutyryl)

View entire compound with spectra: 1 NMR, and 1 FTIR

(.+/-.)-N-propyl-3,4-methylenedioxyamphetamine, N-(heptafluorobutyryl)
SpectraBase Compound ID 9vtf9cBkAvL
InChI InChI=1S/C17H18F7NO3/c1-3-6-25(14(26)15(18,19)16(20,21)17(22,23)24)10(2)7-11-4-5-12-13(8-11)28-9-27-12/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKey ZIOMOBLMUABWIU-UHFFFAOYSA-N
Mol Weight 417.32 g/mol
Molecular Formula C17H18F7NO3
Exact Mass 417.117491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzLXEngbfqX
Name (.+/-.)-N-propyl-3,4-methylenedioxyamphetamine, N-(heptafluorobutyryl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.117490582 u
Formula C17H18F7NO3
InChI InChI=1S/C17H18F7NO3/c1-3-6-25(14(26)15(18,19)16(20,21)17(22,23)24)10(2)7-11-4-5-12-13(8-11)28-9-27-12/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKey ZIOMOBLMUABWIU-UHFFFAOYSA-N
Molecular Weight 417.324 g/mol
SMILES C1(=CC=C2C(=C1)OCO2)CC(C)N(CCC)C(C(F)(F)C(F)(F)C(F)(F)F)=O