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

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

N,N-Bis-(3-pentyl)-1-(3,4-methylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID 2V3prdrF2Ih
InChI InChI=1S/C21H35NO2/c1-6-17(7-2)22(18(8-3)9-4)19(10-5)13-16-11-12-20-21(14-16)24-15-23-20/h11-12,14,17-19H,6-10,13,15H2,1-5H3
InChIKey GABSEPUXPQBJGY-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 K8r21Az0BDf
Name N,N-bis-(3-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 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-6-17(7-2)22(18(8-3)9-4)19(10-5)13-16-11-12-20-21(14-16)24-15-23-20/h11-12,14,17-19H,6-10,13,15H2,1-5H3
InChIKey GABSEPUXPQBJGY-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C(N(C(CC)CC)C(CC)CC)(CC=1C=C2C(=CC1)OCO2)CC