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Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, methyl ester, [1.alpha.,3.beta.(Z)]-(.+-.)-
SpectraBase Compound ID KuLDTkjyDPF
InChI InChI=1S/C12H18O4/c1-7(10(13)15-4)6-8-9(11(14)16-5)12(8,2)3/h6,8-9H,1-5H3/b7-6-/t8-,9+/m0/s1
InChIKey YYRMJZXCARUTDN-XFPDIIEBSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JoIsmzduq0
Name Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, methyl ester, [1.alpha.,3.beta.(Z)]-(.+-.)-
CAS Registry Number 67530-24-9
Comments Less than 3 mono-isotopic peaks
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7(10(13)15-4)6-8-9(11(14)16-5)12(8,2)3/h6,8-9H,1-5H3/b7-6-/t8-,9+/m0/s1
InChIKey YYRMJZXCARUTDN-XFPDIIEBSA-N
Molecular Weight 226.272 g/mol
SMILES C1([C@@](\C=C/(C(=O)OC)C)([C@@]1(C(=O)OC)[H])[H])(C)C
SPLASH splash10-0a4i-0900000000-7db3bc2c4d9258af81fa
Source of Spectrum K-111-2221-0
Synonyms methyl (1S,3S)-3-[(1Z)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethylcyclopropanecarboxylate Methyl ester of 3-(2-z-methoxycarbonyl-1-propenyl)-2,2-dimethyl-(1,3-e)-cyclopropancarboxylic acid
Wiley ID 1227233