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(+/-)-Hexyl cis-2-hydroxycyclohexanecarboxylate
SpectraBase Compound ID IVPlzLXPc8L
InChI InChI=1S/C13H24O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h11-12,14H,2-10H2,1H3/t11-,12+/m1/s1
InChIKey PQNLJBXFYGUZPF-NEPJUHHUSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdsUMxyzQhm
Name (+/-)-Hexyl cis-2-hydroxycyclohexanecarboxylate
Alternate Name(s) (1R,2S)-hexyl 2-hydroxycyclohexanecarboxylate
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Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h11-12,14H,2-10H2,1H3/t11-,12+/m1/s1
InChIKey PQNLJBXFYGUZPF-NEPJUHHUSA-N
Literature Reference DOI 10.1002/ffj.3182
Molecular Weight 228.332 g/mol
SMILES O[C@@]1([C@@](CCCC1)(C(=O)OCCCCCC)[H])[H]
SPLASH splash10-00wc-9500000000-ebdf8b06763e70857cef
Source of Spectrum FF-29-81-26
Wiley ID 1775666