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4-((S)-2-Methoxycarbonylmethyl-1,3,3-trimethyl-cyclohexyl)-4-oxo-butyric acid methyl ester
SpectraBase Compound ID KsgssHKbzC
InChI InChI=1S/C17H28O5/c1-16(2)9-6-10-17(3,12(16)11-15(20)22-5)13(18)7-8-14(19)21-4/h12H,6-11H2,1-5H3/t12?,17-/m0/s1
InChIKey ZWVSJJQMQSQIRA-TYJDENFWSA-N
Mol Weight 312.41 g/mol
Molecular Formula C17H28O5
Exact Mass 312.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ougbPLuLnV
Name 4-((S)-2-Methoxycarbonylmethyl-1,3,3-trimethyl-cyclohexyl)-4-oxo-butyric acid methyl ester
Alternate Name(s) 2-[(Methoxycarbonyl)methyl]-3-[3'-(methoxycarbonyl)-1'-oxopropyl]-1,1,3-trimethylcyclohexane Methyl 4-[(1S)-2-(2-methoxy-2-oxoethyl)-1,3,3-trimethylcyclohexyl]-4-oxobutanoate
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Formula C17H28O5
InChI InChI=1S/C17H28O5/c1-16(2)9-6-10-17(3,12(16)11-15(20)22-5)13(18)7-8-14(19)21-4/h12H,6-11H2,1-5H3/t12?,17-/m0/s1
InChIKey ZWVSJJQMQSQIRA-TYJDENFWSA-N
Molecular Weight 312.406 g/mol
SMILES [C@@]1(C(C(C)(C)CCC1)CC(=O)OC)(C(=O)CCC(=O)OC)C
SPLASH splash10-014i-6900000000-1ac355176e1c23fc0094
Source of Spectrum Y4-79-360-4
Wiley ID 1513183