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2-(1-carbomethoxy-4,6-heptadien-1-yl)-2,4,6-cycloheptatrien-1-one
SpectraBase Compound ID LenCtedH3Nv
InChI InChI=1S/C16H18O3/c1-3-4-5-7-11-14(16(18)19-2)13-10-8-6-9-12-15(13)17/h3-6,8-10,12,14H,1,7,11H2,2H3/b5-4+
InChIKey RKIXMQMMURUAFC-SNAWJCMRSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B48Pe3byieG
Name 2-(1-carbomethoxy-4,6-heptadien-1-yl)-2,4,6-cycloheptatrien-1-one
Alternate Name(s) 2-[1-Carbomethoxyhepta-4(E),6-dienyl]-2,4,6-cycloheptatrien-1-one Methyl (5E)-2-(7-oxo-1,3,5-cycloheptatrien-1-yl)-5,7-octadienoate (5E)-2-(7-oxo-1-cyclohepta-1,3,5-trienyl)octa-5,7-dienoic acid methyl ester Methyl (5E)-2-(7-oxocyclohepta-1,3,5-trien-1-yl)octa-5,7-dienoate Methyl (5E)-2-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)octa-5,7-dienoate
CAS Registry Number 115912-67-9
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Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-3-4-5-7-11-14(16(18)19-2)13-10-8-6-9-12-15(13)17/h3-6,8-10,12,14H,1,7,11H2,2H3/b5-4+
InChIKey RKIXMQMMURUAFC-SNAWJCMRSA-N
Molecular Weight 258.317 g/mol
SMILES C=1(C(C(=O)OC)CC\C=C\C=C)C(C=CC=CC1)=O
SPLASH splash10-0a4i-0900000000-1b2143786a9af8451f8a
Source of Spectrum J-61-847-11
Wiley ID 1262082