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2-(1-oxopropyl)-1-cyclohepta-2,4,6-trienone
SpectraBase Compound ID Blku9SXYQqj
InChI InChI=1S/C10H10O2/c1-2-9(11)8-6-4-3-5-7-10(8)12/h3-7H,2H2,1H3
InChIKey ORTBIUMWPCSUDI-UHFFFAOYSA-N
Mol Weight 162.19 g/mol
Molecular Formula C10H10O2
Exact Mass 162.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 284dm4mPbqL
Name 2-(1-oxopropyl)-1-cyclohepta-2,4,6-trienone
Alternate Name(s) 2-propanoylcyclohepta-2,4,6-trien-1-one 2-propionylcyclohepta-2,4,6-trien-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C10H10O2
InChI InChI=1S/C10H10O2/c1-2-9(11)8-6-4-3-5-7-10(8)12/h3-7H,2H2,1H3
InChIKey ORTBIUMWPCSUDI-UHFFFAOYSA-N
Molecular Weight 162.188 g/mol
SMILES C=1(C(C=CC=CC1)=O)C(=O)CC
SPLASH splash10-0bt9-0900000000-e1e093eaa7970fcb3feb
Source of Spectrum SK-29-4372-8
Wiley ID 880978