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(1S,2S,4R)-2-cyano-4-hydroxy-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID 5NESqcVrfot
InChI InChI=1S/C9H13NO3/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h6-8,11H,2-4H2,1H3/t6-,7-,8+/m1/s1
InChIKey HMVAESGFJWKYGO-PRJMDXOYSA-N
Mol Weight 183.21 g/mol
Molecular Formula C9H13NO3
Exact Mass 183.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PwdPRTtBkw
Name (1S,2S,4R)-2-cyano-4-hydroxy-1-cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1S,2S,4R)-2-cyano-4-hydroxy-cyclohexanecarboxylic acid methyl ester Methyl (1S,2S,4R)-2-cyano-4-hydroxy-cyclohexanecarboxylate Methyl (1S,2S,4R)-2-cyano-4-hydroxycyclohexane-1-carboxylate Methyl (1S,2S,4R)-2-cyano-4-oxidanyl-cyclohexane-1-carboxylate
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Formula C9H13NO3
InChI InChI=1S/C9H13NO3/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h6-8,11H,2-4H2,1H3/t6-,7-,8+/m1/s1
InChIKey HMVAESGFJWKYGO-PRJMDXOYSA-N
Molecular Weight 183.207 g/mol
SMILES O[C@@]1(CC[C@@]([C@@](C#N)(C1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-000x-9400000000-41ac3b6bdfe25a9e3b6b
Source of Spectrum KC-0-506-4
Wiley ID 824380