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3-Cyclohexene-1-methanol, 2,2,4-trimethyl-, 4-methylbenzenesulfonate, (S)-
SpectraBase Compound ID 5EfDhDUHLcU
InChI InChI=1S/C17H24O3S/c1-13-6-9-16(10-7-13)21(18,19)20-12-15-8-5-14(2)11-17(15,3)4/h6-7,9-11,15H,5,8,12H2,1-4H3/t15-/m1/s1
InChIKey BYGBZDJBLMDGJU-OAHLLOKOSA-N
Mol Weight 308.44 g/mol
Molecular Formula C17H24O3S
Exact Mass 308.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7axW6t957BJ
Name 3-Cyclohexene-1-methanol, 2,2,4-trimethyl-, 4-methylbenzenesulfonate, (S)-
CAS Registry Number 108361-16-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3S
InChI InChI=1S/C17H24O3S/c1-13-6-9-16(10-7-13)21(18,19)20-12-15-8-5-14(2)11-17(15,3)4/h6-7,9-11,15H,5,8,12H2,1-4H3/t15-/m1/s1
InChIKey BYGBZDJBLMDGJU-OAHLLOKOSA-N
Molecular Weight 308.436 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@@]1(C(C=C(CC1)C)(C)C)[H]
SPLASH splash10-00du-4900000000-4bdee4557fe41e6b6378
Source of Spectrum H-69-652-0
Synonyms p-Toluosulfonsaure-[(S)-2,2,4-trimethyl-3-cyclohexen-1-methyl]ester [(1S)-2,2,4-trimethyl-3-cyclohexen-1-yl]methyl 4-methylbenzenesulfonate
Wiley ID 1309758