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CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, SULFITE (2:1), [1R-[1alpha(1R*,2S*,5R*),2beta,5alpha]]-
SpectraBase Compound ID 7YZTgK2VZgE
InChI InChI=1S/C20H38O3S/c1-13(2)17-9-7-15(5)11-19(17)22-24(21)23-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
InChIKey WKQYCOIHFDJKQT-UHFFFAOYSA-N
Mol Weight 358.6 g/mol
Molecular Formula C20H38O3S
Exact Mass 358.254166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je3MOODZ6pN
Name CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, SULFITE (2:1), [1R-[1alpha(1R*,2S*,5R*),2beta,5alpha]]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H38SO3
InChI InChI=1S/C20H38O3S/c1-13(2)17-9-7-15(5)11-19(17)22-24(21)23-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
InChIKey WKQYCOIHFDJKQT-UHFFFAOYSA-N
Instrument Name CH5
Molecular Weight 358.2532
SMILES C1C(C(C)C)C(OS(=O)OC2C(C(C)C)CCC(C)C2)CC(C)C1
SPLASH splash10-0540-9200000000-3bf3b254333bb1434ff8
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany