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

View entire compound with spectra: 1 NMR

(.+/-.)-N-propyl-3,4-methylenedioxyamphetamine, N-(pentafluoropropionyl)
SpectraBase Compound ID 5EwYu5EA4WV
InChI InChI=1S/C16H18F5NO3/c1-3-6-22(14(23)15(17,18)16(19,20)21)10(2)7-11-4-5-12-13(8-11)25-9-24-12/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKey RYRYQORDZHKQPI-UHFFFAOYSA-N
Mol Weight 367.32 g/mol
Molecular Formula C16H18F5NO3
Exact Mass 367.120684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3r7gZYaIEdW
Name (.+/-.)-N-propyl-3,4-methylenedioxyamphetamine, N-(pentafluoropropionyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.120684256 u
Formula C16H18F5NO3
InChI InChI=1S/C16H18F5NO3/c1-3-6-22(14(23)15(17,18)16(19,20)21)10(2)7-11-4-5-12-13(8-11)25-9-24-12/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKey RYRYQORDZHKQPI-UHFFFAOYSA-N
Molecular Weight 367.316 g/mol
SMILES C1(=CC=C2C(=C1)OCO2)CC(C)N(CCC)C(C(F)(F)C(F)(F)F)=O