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1-(3',4'-DIOXYMETHYLENEPHENYL)-PROPAN-1-ONE
SpectraBase Compound ID 41ubvTb9u4k
InChI InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3
InChIKey RVBJGSPBFIUTTR-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JyskrLxyym
Name 3,4-Methylenedioxypropiophenone
CAS Registry Number 28281-49-4
Classification Designer drug precursor
Comments Spectrum verified by crosschecking against external libraries (one 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 178.062994179 u
Formula C10H10O3
InChI InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3
InChIKey RVBJGSPBFIUTTR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 178.187 g/mol
Nominal Mass 178 u
Quality 944
Retention Index 1496
SMILES C1=2C(=CC=C(C2)C(CC)=O)OCO1
SPLASH splash10-0002-4900000000-71bc1e2d564a81eb84b3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(1,3-benzodioxol-5-yl)propan-1-one
Technique GC/MS
Wiley ID DD2024_017093