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(+-)-cis-(2-Hydroxy)cyclohexylmethyl benzoate
SpectraBase Compound ID EmHHlzfclc2
InChI InChI=1S/C14H18O3/c15-13-9-5-4-8-12(13)10-17-14(16)11-6-2-1-3-7-11/h1-3,6-7,12-13,15H,4-5,8-10H2/t12-,13-/m0/s1
InChIKey UFZUNNCDBYWDAJ-STQMWFEESA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5vl8hnqc2N
Name (+-)-cis-(2-Hydroxy)cyclohexylmethyl benzoate
Alternate Name(s) [(1S,2S)-2-hydroxycyclohexyl]methyl benzoate
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Formula C14H18O3
InChI InChI=1S/C14H18O3/c15-13-9-5-4-8-12(13)10-17-14(16)11-6-2-1-3-7-11/h1-3,6-7,12-13,15H,4-5,8-10H2/t12-,13-/m0/s1
InChIKey UFZUNNCDBYWDAJ-STQMWFEESA-N
Molecular Weight 234.295 g/mol
SMILES O[C@@]1([C@](COC(=O)c2ccccc2)(CCCC1)[H])[H]
SPLASH splash10-014s-3190000000-cc1c3b3ec599f8d09f41
Source of Spectrum KC-61-476-7
Wiley ID 1627125