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Methyl 7-{2-[2-(Methoxy-carbonyl)ethyl]phenyl}cyclohepta-1,3-diene-1-carboxylate
SpectraBase Compound ID HKdaPSh0aHz
InChI InChI=1S/C19H22O4/c1-22-18(20)13-12-14-8-6-7-9-15(14)16-10-4-3-5-11-17(16)19(21)23-2/h3,5-9,11,16H,4,10,12-13H2,1-2H3
InChIKey XOLRSMMQWPUZLU-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18UtVXYelU
Name 7-[2-(3-keto-3-methoxy-propyl)phenyl]cyclohepta-1,3-diene-1-carboxylic acid methyl ester
Alternate Name(s) 7-[2-(3-methoxy-3-oxopropyl)phenyl]-1-cyclohepta-1,3-dienecarboxylic acid methyl ester Methyl 7-[2-(3-methoxy-3-oxidanylidene-propyl)phenyl]cyclohepta-1,3-diene-1-carboxylate Methyl 7-[2-(3-methoxy-3-oxo-propyl)phenyl]cyclohepta-1,3-diene-1-carboxylate
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Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-22-18(20)13-12-14-8-6-7-9-15(14)16-10-4-3-5-11-17(16)19(21)23-2/h3,5-9,11,16H,4,10,12-13H2,1-2H3
InChIKey XOLRSMMQWPUZLU-UHFFFAOYSA-N
Molecular Weight 314.381 g/mol
SMILES C=1(C(c2c(CCC(=O)OC)cccc2)CCC=CC1)C(=O)OC
SPLASH splash10-00ls-1951000000-918bc0f5b17562fb8fc5
Source of Spectrum H-80-1398-0
Wiley ID 1315262