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5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 4-(1,3-Dithian-2-ylidene)-2-hydroxy-2,3-dimethylbutanoate
SpectraBase Compound ID 884PoPYLDOx
InChI InChI=1S/C26H38O3S2/c1-18-12-13-21(25(3,4)20-10-7-6-8-11-20)22(16-18)29-24(27)26(5,28)19(2)17-23-30-14-9-15-31-23/h6-8,10-11,17-19,21-22,28H,9,12-16H2,1-5H3/t18?,19-,21?,22?,26+/m1/s1
InChIKey OMXBPIVOCGZISF-COYWMPFNSA-N
Mol Weight 462.7 g/mol
Molecular Formula C26H38O3S2
Exact Mass 462.226237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84cGCkUKYol
Name 5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 4-(1,3-Dithian-2-ylidene)-2-hydroxy-2,3-dimethylbutanoate
Alternate Name(s) (2S,3R)-4-[1,3]Dithian-2-ylidene-2-hydroxy-2,3-dimethyl-butyric acid 5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester 5-Methyl-2-(2-phenylpropan-2-yl)cyclohexyl 4-(1,3-dithian-2-ylidene)-2-hydroxy-2,3-dimethylbutanoate
CAS Registry Number 139944-71-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O3S2
InChI InChI=1S/C26H38O3S2/c1-18-12-13-21(25(3,4)20-10-7-6-8-11-20)22(16-18)29-24(27)26(5,28)19(2)17-23-30-14-9-15-31-23/h6-8,10-11,17-19,21-22,28H,9,12-16H2,1-5H3/t18?,19-,21?,22?,26+/m1/s1
InChIKey OMXBPIVOCGZISF-COYWMPFNSA-N
Molecular Weight 462.707 g/mol
SMILES O[C@](C(OC1C(C(c2ccccc2)(C)C)CCC(C1)C)=O)([C@@](C=C1SCCCS1)(C)[H])C
SPLASH splash10-014j-0910000000-2fcd75ba887a8794c6a7
Source of Spectrum J-57-2939-8
Wiley ID 1391082