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N-Benzyl-N-propyl-(3,4-methylenedioxyphenyl)butan-2-amine

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N-Benzyl-N-propyl-(3,4-methylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID HeShWeYjKBK
InChI InChI=1S/C21H27NO2/c1-3-12-22(15-17-8-6-5-7-9-17)19(4-2)13-18-10-11-20-21(14-18)24-16-23-20/h5-11,14,19H,3-4,12-13,15-16H2,1-2H3
InChIKey OQKLCEUMCKDUDB-UHFFFAOYSA-N
Mol Weight 325.45 g/mol
Molecular Formula C21H27NO2
Exact Mass 325.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BoRKO7ydDvM
Name N-Benzyl-N-propyl-(3,4-methylenedioxyphenyl)butan-2-amine
Comments Computed using HOSE algorithm
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Exact Mass 325.204179111 u
Formula C21H27NO2
InChI InChI=1S/C21H27NO2/c1-3-12-22(15-17-8-6-5-7-9-17)19(4-2)13-18-10-11-20-21(14-18)24-16-23-20/h5-11,14,19H,3-4,12-13,15-16H2,1-2H3
InChIKey OQKLCEUMCKDUDB-UHFFFAOYSA-N
Molecular Weight 325.452 g/mol
SMILES C1=2C(=CC=C(C2)CC(N(CC=2C=CC=CC2)CCC)CC)OCO1