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

*Links on SpectraBase are not permalinks.
1-(3,4-Methylenedioxyphenyl)pentan-1-one
SpectraBase Compound ID JNHZAW3LNvV
InChI InChI=1S/C12H14O3/c1-2-3-4-10(13)9-5-6-11-12(7-9)15-8-14-11/h5-7H,2-4,8H2,1H3
InChIKey VSLRIRGQCOPULE-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 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 DmdLTvm2ZKC
Name 1-(3,4-Methylenedioxyphenyl)pentan-1-one
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-2-3-4-10(13)9-5-6-11-12(7-9)15-8-14-11/h5-7H,2-4,8H2,1H3
InChIKey VSLRIRGQCOPULE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 206.241 g/mol
Nominal Mass 206 u
Quality 997
Retention Index 1703
SMILES C1=2C(=CC=C(C2)C(CCCC)=O)OCO1
SPLASH splash10-01ot-0900000000-f705dff893f24249ddf5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(1,3-benzodioxol-5-yl)pentan-1-one
Technique GC/MS
Wiley ID DD2024_017995