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(1.alpha.,4.beta.)-1-Methyl-4-hydroxycyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID ELdFFUljJys
InChI InChI=1S/C9H16O3/c1-9(8(11)12-2)5-3-7(10)4-6-9/h7,10H,3-6H2,1-2H3/t7-,9-
InChIKey BAGVQRARNBDKOA-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 2QKJC1vJLN7
Name (1.alpha.,4.beta.)-1-Methyl-4-hydroxycyclohexanecarboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-9(8(11)12-2)5-3-7(10)4-6-9/h7,10H,3-6H2,1-2H3/t7-,9-
InChIKey BAGVQRARNBDKOA-XWEPSHTISA-N
Molecular Weight 172.224 g/mol
SMILES O[C@]1(CC[C@](C(=O)OC)(CC1)C)[H]
SPLASH splash10-0002-9000000000-2debe91b188f60ce4553
Source of Spectrum E1-37-2347-9
Synonyms (1.alpha.,4.beta.)-1-Methyl-4-hydroxycyclohexanecarboxylic acid ethyl ester methyl 4-hydroxy-1-methylcyclohexanecarboxylate
Wiley ID 1575172