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Methyl (1SR,4RS)-4-acetoxy-2,3-dimethyl-cyclohex-2-ene-1-carboxylate
SpectraBase Compound ID AGJpawGHeVb
InChI InChI=1S/C12H18O4/c1-7-8(2)11(16-9(3)13)6-5-10(7)12(14)15-4/h10-11H,5-6H2,1-4H3/t10-,11+/m0/s1
InChIKey RZKHKJZFBBMGAC-WDEREUQCSA-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 5fsKvAsYJDt
Name Methyl (1SR,4RS)-4-acetoxy-2,3-dimethyl-cyclohex-2-ene-1-carboxylate
Appearance Colorless oil
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7-8(2)11(16-9(3)13)6-5-10(7)12(14)15-4/h10-11H,5-6H2,1-4H3/t10-,11+/m0/s1
InChIKey RZKHKJZFBBMGAC-WDEREUQCSA-N
Instrument Name Finnigan MAT 8200 or Finnigan MAT 95 or Finnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.422
Molecular Weight 226.272 g/mol
Reported Formula C12H18O4
SMILES C(C)(=O)O[C@]1(C(=C([C@](CC1)(C(=O)OC)[H])C)C)[H]
SPLASH splash10-0a4i-2900000000-a7a86fdc5dc335b933a7
Source of Spectrum ARK-2021-49-rac-6
Thin-Layer Chromatography Rf = 0.69 (petroleum ether/EtOAc, 2:1)
Wiley ID 1873119