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(2Z)-2-(2-keto-7a-methyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-ylidene)acetic acid methyl ester
SpectraBase Compound ID A5JwUx3R6H9
InChI InChI=1S/C12H16O4/c1-12-6-4-3-5-9(12)8(11(14)16-12)7-10(13)15-2/h7,9H,3-6H2,1-2H3/b8-7-
InChIKey OLQQKEWSROOQRK-FPLPWBNLSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8y8sLNgZ0X7
Name (2Z)-2-(2-keto-7a-methyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-ylidene)acetic acid methyl ester
CAS Registry Number 72163-24-7
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-12-6-4-3-5-9(12)8(11(14)16-12)7-10(13)15-2/h7,9H,3-6H2,1-2H3/b8-7-
InChIKey OLQQKEWSROOQRK-FPLPWBNLSA-N
Molecular Weight 224.256 g/mol
SMILES C(\C=C\1C2C(C)(CCCC2)OC1=O)(=O)OC
SPLASH splash10-004i-0900000000-00f61b997c6ffad107a4
Source of Spectrum I-59-299-0
Synonyms (2Z)-2-(7a-methyl-2-oxo-4,5,6,7-tetrahydro-3aH-benzofuran-3-ylidene)acetic acid methyl ester methyl (2Z)-2-(7a-methyl-2-oxidanylidene-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-ylidene)ethanoate methyl (2Z)-2-(7a-methyl-2-oxo-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-ylidene)acetate methyl (2Z)-2-(7a-methyl-2-oxo-4,5,6,7-tetrahydro-3aH-benzofuran-3-ylidene)acetate
Wiley ID 1224941