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Piperonylmethylketone
SpectraBase Compound ID 1cWeU4QCh5w
InChI InChI=1S/C10H10O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,4,6H2,1H3
InChIKey XIYKRJLTYKUWAM-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 CSCrVGo75hX
Name MDA-M/precursor-3 @
CAS Registry Number 4676-39-5
Classification Chemical Designer drug
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Exact Mass 178.062994179 u
Formula C10H10O3
InChI InChI=1S/C10H10O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,4,6H2,1H3
InChIKey XIYKRJLTYKUWAM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 178.187 g/mol
SMILES c1cc(cc2c1OCO2)CC(C)=O
SPLASH splash10-0f9i-8900000000-939f419cecdc787ad7be
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms MDA precursor-3 (piperonylacetone) MDA-M (deamino-oxo-) MDEA precursor-3 (piperonylacetone) MDEA-M (deamino-oxo-) MDMA precursor-3 (piperonylacetone) MDMA-M (deamino-oxo-)
Technique GC/MS
Wiley ID MMPW6e_3274