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

*Links on SpectraBase are not permalinks.
Pentylone PROP
SpectraBase Compound ID OBFdUgiQcI
InChI InChI=1S/C16H21NO4/c1-4-6-12(17(3)15(18)5-2)16(19)11-7-8-13-14(9-11)21-10-20-13/h7-9,12H,4-6,10H2,1-3H3
InChIKey VPPSIBKAIXDXMJ-UHFFFAOYSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 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 2oFLcDTrvpw
Name Pentylone PROP
Classification Cathinone analog designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 291.147058156 u
Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-4-6-12(17(3)15(18)5-2)16(19)11-7-8-13-14(9-11)21-10-20-13/h7-9,12H,4-6,10H2,1-3H3
InChIKey VPPSIBKAIXDXMJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 291.347 g/mol
Nominal Mass 291 u
Quality 993
Retention Index 2229
SMILES C=1(C(C(N(C(CC)=O)C)CCC)=O)C=C2C(=CC1)OCO2
SPLASH splash10-000l-9300000000-fc89b66b5709758cddbe
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(1-(1,3-benzodioxol-5-yl)-1-oxopentan-2-yl)-N-methylpropanamide
Technique GC/MS
Wiley ID DD2024_013046