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(E)-2-butenedioic acid O4-cyclohexyl ester O1-ethyl ester
SpectraBase Compound ID FyHKTdVT7ZB
InChI InChI=1S/C12H18O4/c1-2-15-11(13)8-9-12(14)16-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/b9-8+
InChIKey SAFXRWJUFXUQOY-CMDGGOBGSA-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 Ex31E7CGvU0
Name (E)-2-butenedioic acid O4-cyclohexyl ester O1-ethyl ester
Alternate Name(s) (E)-but-2-enedioic acid O4-cyclohexyl ester O1-ethyl ester 4-O-cyclohexyl 1-O-ethyl (E)-but-2-enedioate O4-cyclohexyl O1-ethyl (E)-but-2-enedioate
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-2-15-11(13)8-9-12(14)16-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/b9-8+
InChIKey SAFXRWJUFXUQOY-CMDGGOBGSA-N
Molecular Weight 226.272 g/mol
SMILES C(\C=C\C(=O)OCC)(OC1CCCCC1)=O
SPLASH splash10-066r-9000000000-5430ef1b1cd2eda04553
Source of Spectrum J-61-6827-6
Wiley ID 1227367