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

*Links on SpectraBase are not permalinks.
Isopentylbutylone
SpectraBase Compound ID EYK2zK1ttx8
InChI InChI=1S/C17H25NO3/c1-5-14(18(4)9-8-12(2)3)17(19)13-6-7-15-16(10-13)21-11-20-15/h6-7,10,12,14H,5,8-9,11H2,1-4H3
InChIKey FUKAORUWEPTMJG-UHFFFAOYSA-N
Mol Weight 291.39 g/mol
Molecular Formula C17H25NO3
Exact Mass 291.183444 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 2lHObPdItsG
Name Isopentylbutylone
Classification Phenylbutanamine designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 291.183443666 u
Formula C17H25NO3
InChI InChI=1S/C17H25NO3/c1-5-14(18(4)9-8-12(2)3)17(19)13-6-7-15-16(10-13)21-11-20-15/h6-7,10,12,14H,5,8-9,11H2,1-4H3
InChIKey FUKAORUWEPTMJG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 291.391 g/mol
Nominal Mass 291 u
Quality 991
Retention Index 2050
SMILES C=1(C(C(N(CCC(C)C)C)CC)=O)C=C2C(=CC1)OCO2
SPLASH splash10-0006-9400000000-a0d97f365217cc3636b8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Butylone,isopentyl 1-(1,3-benzodioxol-5-yl)-2-(methyl(3-methylbutyl)amino)butan-1-one
Technique GC/MS
Wiley ID DD2024_010389