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Methyl 6-[(t-butylsulfanyl)-2'-phenylethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
SpectraBase Compound ID 7KpIRH6qgFD
InChI InChI=1S/C21H32O4S/c1-20(2,3)26-18(12-15-10-8-7-9-11-15)17-13-16(14-19(22)23-6)24-21(4,5)25-17/h7-11,16-18H,12-14H2,1-6H3
InChIKey KQRGLAMYVYWAID-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O4S
Exact Mass 380.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27UY2xT77Ga
Name Methyl 6-[(t-butylsulfanyl)-2'-phenylethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4S
InChI InChI=1S/C21H32O4S/c1-20(2,3)26-18(12-15-10-8-7-9-11-15)17-13-16(14-19(22)23-6)24-21(4,5)25-17/h7-11,16-18H,12-14H2,1-6H3
InChIKey KQRGLAMYVYWAID-UHFFFAOYSA-N
Molecular Weight 380.543 g/mol
SMILES C1(OC(C(SC(C)(C)C)Cc2ccccc2)CC(O1)CC(=O)OC)(C)C
SPLASH splash10-0570-5900000000-df3b6cf643d348201a7c
Source of Spectrum G-68-1003-17
Synonyms Methyl 6-S-tert-butyl-2,4,7-trideoxy-3,5-O-(1-methylethylidene)-7-phenyl-6-thioheptonate
Wiley ID 1520404