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N-Hexyl-N-pentyl-2-(3,4-methylenedioxyphenyl)propan-1-amine

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

N-Hexyl-N-pentyl-2-(3,4-methylenedioxyphenyl)propan-1-amine
SpectraBase Compound ID 5vVbV3Cyygh
InChI InChI=1S/C21H35NO2/c1-4-6-8-10-14-22(13-9-7-5-2)16-18(3)19-11-12-20-21(15-19)24-17-23-20/h11-12,15,18H,4-10,13-14,16-17H2,1-3H3
InChIKey TWIWPXPVNIMJMO-UHFFFAOYSA-N
Mol Weight 333.5 g/mol
Molecular Formula C21H35NO2
Exact Mass 333.266779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KAKjowmdKdk
Name N-Hexyl-N-pentyl-2-(3,4-methylenedioxyphenyl)propan-1-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-4-6-8-10-14-22(13-9-7-5-2)16-18(3)19-11-12-20-21(15-19)24-17-23-20/h11-12,15,18H,4-10,13-14,16-17H2,1-3H3
InChIKey TWIWPXPVNIMJMO-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C1=2C(=CC=C(C(CN(CCCCCC)CCCCC)C)C2)OCO1