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(3R,4S)-3-Acetyl-1-cyano-4-hydroxy-4-methyl-cyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID 9MvhfU4kgXg
InChI InChI=1S/C13H19NO4/c1-4-18-11(16)13(8-14)6-5-12(3,17)10(7-13)9(2)15/h10,17H,4-7H2,1-3H3/t10-,12-,13?/m0/s1
InChIKey AMOGPMRWYQJEHF-QDYONFDCSA-N
Mol Weight 253.3 g/mol
Molecular Formula C13H19NO4
Exact Mass 253.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nFZWKQJBFn
Name (3R,4S)-3-Acetyl-1-cyano-4-hydroxy-4-methyl-cyclohexanecarboxylic acid ethyl ester
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Formula C13H19NO4
InChI InChI=1S/C13H19NO4/c1-4-18-11(16)13(8-14)6-5-12(3,17)10(7-13)9(2)15/h10,17H,4-7H2,1-3H3/t10-,12-,13?/m0/s1
InChIKey AMOGPMRWYQJEHF-QDYONFDCSA-N
Molecular Weight 253.298 g/mol
SMILES O[C@]1(CCC(C[C@]1(C(=O)C)[H])(C(=O)OCC)C#N)C
SPLASH splash10-006x-9100000000-932dc9022ee80a8120e3
Source of Spectrum F-55-3945-11
Synonyms 3-Acetyl-1-cyano-4-hydroxy-4-methyl-1-cyclohexanecarboxylic acid ethyl ester 3-Acetyl-1-cyano-4-hydroxy-4-methyl-cyclohexanecarboxylic acid ethyl ester Ethyl 1-cyano-3-ethanoyl-4-methyl-4-oxidanyl-cyclohexane-1-carboxylate Ethyl 3-acetyl-1-cyano-4-hydroxy-4-methyl-cyclohexanecarboxylate Ethyl 3-acetyl-1-cyano-4-hydroxy-4-methylcyclohexane-1-carboxylate (3R,4S)-3-acetyl-1-cyano-4-hydroxy-4-methyl-1-cyclohexanecarboxylic acid ethyl ester Ethyl (3R,4S)-3-acetyl-1-cyano-4-hydroxy-4-methylcyclohexane-1-carboxylate Ethyl (3R,4S)-3-acetyl-1-cyano-4-hydroxy-4-methyl-cyclohexanecarboxylate
Wiley ID 837266