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

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

N-Hexyl-N-pentyl-1-(3,4-methylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID AIYxhwnUIuh
InChI InChI=1S/C22H37NO2/c1-4-7-9-11-15-23(14-10-8-5-2)20(6-3)16-19-12-13-21-22(17-19)25-18-24-21/h12-13,17,20H,4-11,14-16,18H2,1-3H3
InChIKey GHLBGJLXWZHGTK-UHFFFAOYSA-N
Mol Weight 347.5 g/mol
Molecular Formula C22H37NO2
Exact Mass 347.282429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37pfjPIntix
Name N-Hexyl-N-pentyl-1-(3,4-methylenedioxyphenyl)butan-2-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.282429433 u
Formula C22H37NO2
InChI InChI=1S/C22H37NO2/c1-4-7-9-11-15-23(14-10-8-5-2)20(6-3)16-19-12-13-21-22(17-19)25-18-24-21/h12-13,17,20H,4-11,14-16,18H2,1-3H3
InChIKey GHLBGJLXWZHGTK-UHFFFAOYSA-N
Molecular Weight 347.543 g/mol
SMILES C1=2C(=CC(CC(N(CCCCCC)CCCCC)CC)=CC2)OCO1