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(1R,3S,4S)-4-hydroxy-3-methoxy-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID BJGzAktTN7m
InChI InChI=1S/C9H16O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h6-8,10H,3-5H2,1-2H3/t6-,7+,8+/m1/s1
InChIKey ISJDVDBSFHNLGU-CSMHCCOUSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19TccY0cvw
Name (1R,3S,4S)-4-hydroxy-3-methoxy-1-cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1R,3S,4S)-4-hydroxy-3-methoxy-cyclohexanecarboxylic acid methyl ester Methyl (1R,3S,4S)-3-methoxy-4-oxidanyl-cyclohexane-1-carboxylate Methyl (1R,3S,4S)-4-hydroxy-3-methoxy-cyclohexanecarboxylate Methyl (1R,3S,4S)-4-hydroxy-3-methoxycyclohexane-1-carboxylate
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Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h6-8,10H,3-5H2,1-2H3/t6-,7+,8+/m1/s1
InChIKey ISJDVDBSFHNLGU-CSMHCCOUSA-N
Molecular Weight 188.223 g/mol
SMILES O[C@]1(CC[C@@](C(=O)OC)(C[C@@]1(OC)[H])[H])[H]
SPLASH splash10-08gi-0900000000-9305514bd0c7748c3114
Source of Spectrum KC-0-506-5
Wiley ID 824377