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N,N-Bis(-2-methylbutyl)-1-(3,4-methylenedioxyphenyl)butan-2-amine

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

N,N-Bis(-2-methylbutyl)-1-(3,4-methylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID F8Jh2p3HYrm
InChI InChI=1S/C21H35NO2/c1-6-16(4)13-22(14-17(5)7-2)19(8-3)11-18-9-10-20-21(12-18)24-15-23-20/h9-10,12,16-17,19H,6-8,11,13-15H2,1-5H3
InChIKey OYBRCHFKAYKJCD-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 UPLAbcfaHf
Name N,N-bis(-2-Methylbutyl)-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 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-6-16(4)13-22(14-17(5)7-2)19(8-3)11-18-9-10-20-21(12-18)24-15-23-20/h9-10,12,16-17,19H,6-8,11,13-15H2,1-5H3
InChIKey OYBRCHFKAYKJCD-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C(N(CC(CC)C)CC(CC)C)(CC=1C=C2C(=CC1)OCO2)CC