For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GUSNHCbuRBQ
Name N-Benzyl-N-propyl-(3,4-methylenedioxyphenyl)butan-2-amine
Classification Phenylbutanamine designer drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
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
Ionization Type Electron Ionization (EI)
Molecular Weight 325.452 g/mol
Nominal Mass 325 u
Quality 996
Retention Index 2374
SMILES C1=2C(=CC=C(C2)CC(N(CC=2C=CC=CC2)CCC)CC)OCO1
SPLASH splash10-0006-7900000000-248b716f17063c3f2b58
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms BDB,N-Benzyl,N-propyl N-Benzyl,N-propyl-1-(3,4-methylenedioxyphenyl)butan-2-amine 1-(1,3-benzodioxol-5-yl)-N-benzyl-N-propylbutan-2-amine
Technique GC/MS
Wiley ID DD2024_005179