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1-(3,4-Methylenedioxyphenyl)-2-Butanone
SpectraBase Compound ID pZ89U6weGb
InChI InChI=1S/C11H12O3/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6H,2,5,7H2,1H3
InChIKey SWKXHWCUDGJLNA-UHFFFAOYSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIspZGbwnxo
Name 1-(3,4-Methylenedioxyphenyl)butan-2-one
CAS Registry Number 23023-13-4
Classification Designer drug precursor
Comments Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 192.078644243 u
Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6H,2,5,7H2,1H3
InChIKey SWKXHWCUDGJLNA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 192.214 g/mol
Nominal Mass 192 u
Quality 976
Retention Index 1429
SMILES C1=2C(=CC=C(C2)CC(CC)=O)OCO1
SPLASH splash10-000i-2900000000-aa03edee637d5695c344
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(1,3-Benzodioxol-5-yl)-2-butanone
Technique GC/MS
Wiley ID DD2024_018549