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1,2-Cyclohexanediol, 3-(1,1-dimethylethyl)-, 2-acetate, (1.alpha.,2.alpha.,3.alpha.)-
SpectraBase Compound ID IGrUU1TtcrI
InChI InChI=1S/C12H22O3/c1-8(13)15-11-9(12(2,3)4)6-5-7-10(11)14/h9-11,14H,5-7H2,1-4H3/t9-,10+,11-/m1/s1
InChIKey DPSQESBXICVKIG-OUAUKWLOSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IM16IQUSw3e
Name 1,2-Cyclohexanediol, 3-(1,1-dimethylethyl)-, 2-acetate, (1.alpha.,2.alpha.,3.alpha.)-
CAS Registry Number 64207-27-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-8(13)15-11-9(12(2,3)4)6-5-7-10(11)14/h9-11,14H,5-7H2,1-4H3/t9-,10+,11-/m1/s1
InChIKey DPSQESBXICVKIG-OUAUKWLOSA-N
Molecular Weight 214.305 g/mol
SMILES O[C@@]1([C@@]([C@](C(C)(C)C)(CCC1)[H])(OC(=O)C)[H])[H]
SPLASH splash10-0002-9000000000-f8dbf2a18206242c8656
Source of Spectrum KC-1977-1161-0
Synonyms (1R,2S,6S)-2-tert-butyl-6-hydroxycyclohexyl acetate c-2-hydroxy-c-6-t-butylcyclohexan-.gamma.-1-yl acetate
Wiley ID 1213600