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(4R,5S,6R)-Methyl 4-methyl-5-formyl-6-[(methoxycarbonyl)methyl]-3-oxa-1-cyclohexene-1-carboxylate
SpectraBase Compound ID LgAMhLLyaak
InChI InChI=1S/C12H16O6/c1-7-9(5-13)8(4-11(14)16-2)10(6-18-7)12(15)17-3/h5-9H,4H2,1-3H3/t7-,8-,9-/m1/s1
InChIKey NTCBDZLDJOMIAC-IWSPIJDZSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0tigqRbdKB
Name (4R,5S,6R)-Methyl 4-methyl-5-formyl-6-[(methoxycarbonyl)methyl]-3-oxa-1-cyclohexene-1-carboxylate
Alternate Name(s) Epi-elenoic methyl ester Methyl (2R,3S,4R)-3-formyl-4-(2-methoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-pyran-5-carboxylate Methyl 4-methyl-5-formyl-6-[(methoxycarbonyl)methyl]-3-oxa-1-cyclohexene-1-carboxylate
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Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-7-9(5-13)8(4-11(14)16-2)10(6-18-7)12(15)17-3/h5-9H,4H2,1-3H3/t7-,8-,9-/m1/s1
InChIKey NTCBDZLDJOMIAC-IWSPIJDZSA-N
Molecular Weight 256.254 g/mol
SMILES C=1([C@@]([C@@](C=O)([H])[C@](OC1)(C)[H])(CC(=O)OC)[H])C(=O)OC
SPLASH splash10-0f6t-0930000000-a14a1f04d29b38446bad
Source of Spectrum F3-31-193-25
Wiley ID 1565531