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Cyclohexanecarboxylic acid, 4-hydroxy-4-methyl-, methyl ester, cis-
SpectraBase Compound ID CRNK9fmL3UT
InChI InChI=1S/C9H16O3/c1-9(11)5-3-7(4-6-9)8(10)12-2/h7,11H,3-6H2,1-2H3/t7-,9-
InChIKey UKIBRJFOBWYRKE-XWEPSHTISA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oHdAmsd4O8
Name Cyclohexanecarboxylic acid, 4-hydroxy-4-methyl-, methyl ester, cis-
CAS Registry Number 85977-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-9(11)5-3-7(4-6-9)8(10)12-2/h7,11H,3-6H2,1-2H3/t7-,9-
InChIKey UKIBRJFOBWYRKE-XWEPSHTISA-N
Molecular Weight 172.224 g/mol
SMILES O[C@]1(CC[C@](C(=O)OC)(CC1)[H])C
SPLASH splash10-000x-9100000000-77400ee838a84703a99c
Source of Spectrum F-39-665-0
Synonyms Methyl 4-hydroxy-4-methylcyclohexanecarboxylate Methyl ester of 4-methyl-4-hydroxycyclohexanecarboxylic acid (isomer b)
Wiley ID 1168707