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(1S,2S,4R)-4-hydroxy-2-methoxy-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID 6kbl66ooP8
InChI InChI=1S/C9H16O4/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h6-8,10H,3-5H2,1-2H3/t6-,7+,8+/m1/s1
InChIKey XSMUESFQQOBWBR-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 AH4I6ZMbiNP
Name (1S,2S,4R)-4-hydroxy-2-methoxy-1-cyclohexanecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h6-8,10H,3-5H2,1-2H3/t6-,7+,8+/m1/s1
InChIKey XSMUESFQQOBWBR-CSMHCCOUSA-N
Molecular Weight 188.223 g/mol
SMILES O[C@@]1(CC[C@](C(=O)OC)([C@](C1)(OC)[H])[H])[H]
SPLASH splash10-000i-9600000000-296557c831a81146248d
Source of Spectrum KC-0-506-4
Synonyms (1S,2S,4R)-4-hydroxy-2-methoxy-cyclohexanecarboxylic acid methyl ester Methyl (1S,2S,4R)-2-methoxy-4-oxidanyl-cyclohexane-1-carboxylate Methyl (1S,2S,4R)-4-hydroxy-2-methoxy-cyclohexanecarboxylate Methyl (1S,2S,4R)-4-hydroxy-2-methoxycyclohexane-1-carboxylate
Wiley ID 824378