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(1R,2S)-2-phenyl-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID 8TVcpk75CKX
InChI InChI=1S/C14H18O2/c1-16-14(15)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3/t12-,13-/m1/s1
InChIKey IMAGBMSOGGYLDK-CHWSQXEVSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InPedqFqwOq
Name (1R,2S)-2-phenyl-1-cyclohexanecarboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-16-14(15)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3/t12-,13-/m1/s1
InChIKey IMAGBMSOGGYLDK-CHWSQXEVSA-N
Molecular Weight 218.296 g/mol
SMILES [C@@]1(C(=O)OC)([C@@](c2ccccc2)(CCCC1)[H])[H]
SPLASH splash10-0a4i-0900000000-eb3dcdcb68bc855e715d
Source of Spectrum O-33-821-7
Synonyms (1R,2S)-2-phenylcyclohexanecarboxylic acid methyl ester methyl (1R,2S)-2-phenylcyclohexane-1-carboxylate methyl (1R,2S)-2-phenylcyclohexanecarboxylate
Wiley ID 763219