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(1R,2S)-2-(hydroxymethyl)cyclohexyl acetate
SpectraBase Compound ID 9Tl21lSs9a
InChI InChI=1S/C9H16O3/c1-7(11)12-9-5-3-2-4-8(9)6-10/h8-10H,2-6H2,1H3/t8-,9+/m0/s1
InChIKey ZKMOSUVLVTXHRN-DTWKUNHWSA-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 Ib8h5PSp0mG
Name (1R,2S)-2-(hydroxymethyl)cyclohexyl acetate
Comments Less than 3 mono-isotopic peaks
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Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-7(11)12-9-5-3-2-4-8(9)6-10/h8-10H,2-6H2,1H3/t8-,9+/m0/s1
InChIKey ZKMOSUVLVTXHRN-DTWKUNHWSA-N
Molecular Weight 172.224 g/mol
SMILES OC[C@]1([C@](OC(=O)C)(CCCC1)[H])[H]
SPLASH splash10-03di-9100000000-cc50f9a78293e323c2cd
Source of Spectrum KC-0-334-25
Synonyms trans-2-Hydroxymethylcyclohexyl acetate cis-2-Hydroxymethylcyclohexyl acetate
Wiley ID 783135