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(1S,3S,4R,5R)-3-Acetoxy-5-hydroxy-4-methyl-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID 7ek32JhO3oD
InChI InChI=1S/C11H18O5/c1-6-9(13)4-8(11(14)15-3)5-10(6)16-7(2)12/h6,8-10,13H,4-5H2,1-3H3/t6-,8+,9-,10+/m1/s1
InChIKey PSNPOBHKAGJGKV-NEPJDUFXSA-N
Mol Weight 230.26 g/mol
Molecular Formula C11H18O5
Exact Mass 230.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fg4isoMmgoo
Name (1S,3S,4R,5R)-3-Acetoxy-5-hydroxy-4-methyl-cyclohexanecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O5
InChI InChI=1S/C11H18O5/c1-6-9(13)4-8(11(14)15-3)5-10(6)16-7(2)12/h6,8-10,13H,4-5H2,1-3H3/t6-,8+,9-,10+/m1/s1
InChIKey PSNPOBHKAGJGKV-NEPJDUFXSA-N
Molecular Weight 230.260 g/mol
SMILES O[C@]1([C@]([C@](C[C@@](C(=O)OC)(C1)[H])(OC(=O)C)[H])(C)[H])[H]
SPLASH splash10-0a50-0900000000-268993e95e4d6ff9ba86
Source of Spectrum QC-11-3896-14
Synonyms (1R,3S,4S,5R)-5-Acetoxy-3-hydroxy-4-methyl-1-(methoxycarbonyl)cyclohexane (+)-(1R,3S,4S,5R)-3-Acetoxy-5-hydroxy-4-methyl-1-(methoxycarbonyl)cyclohexane (1S,3R,4R,5S)-5-Acetoxy-3-hydroxy-4-methyl-1-(methoxycarbonyl)cyclohexane (+)-(1S,3S,4R,5R)-3-Acetoxy-5-hydroxy-4-methyl-1-(methoxycarbonyl)cyclohexane Methyl (1R,3S,4S,5R)-3-(acetyloxy)-5-hydroxy-4-methylcyclohexanecarboxylate Methyl (1S,3S,4R,5R)-3-(acetyloxy)-5-hydroxy-4-methylcyclohexanecarboxylate
Wiley ID 860136