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

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

N-Benzyl-1-(3,4-methylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID 9cRnvS29br0
InChI InChI=1S/C18H21NO2/c1-2-16(19-12-14-6-4-3-5-7-14)10-15-8-9-17-18(11-15)21-13-20-17/h3-9,11,16,19H,2,10,12-13H2,1H3
InChIKey ONXCFKACNVXQNV-UHFFFAOYSA-N
Mol Weight 283.37 g/mol
Molecular Formula C18H21NO2
Exact Mass 283.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jd9f7URvz97
Name N-Benzyl-1-(3,4-methylenedioxyphenyl)butan-2-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.157228918 u
Formula C18H21NO2
InChI InChI=1S/C18H21NO2/c1-2-16(19-12-14-6-4-3-5-7-14)10-15-8-9-17-18(11-15)21-13-20-17/h3-9,11,16,19H,2,10,12-13H2,1H3
InChIKey ONXCFKACNVXQNV-UHFFFAOYSA-N
SMILES C1=2C(=CC=C(C2)CC(NCC=2C=CC=CC2)CC)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963203