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1,9-Decadiene-3,8-diol, 2,6-dimethyl-9-(phenylsulfonyl)-, 3-acetate 8-methanesulfonate
SpectraBase Compound ID DY9So3uBXYa
InChI InChI=1S/C21H30O7S2/c1-15(2)20(27-18(5)22)13-12-16(3)14-21(28-29(6,23)24)17(4)30(25,26)19-10-8-7-9-11-19/h7-11,16,20-21H,1,4,12-14H2,2-3,5-6H3
InChIKey YZCLZCQLDALMBP-UHFFFAOYSA-N
Mol Weight 458.58 g/mol
Molecular Formula C21H30O7S2
Exact Mass 458.143296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhIdaCyaOww
Name 1,9-Decadiene-3,8-diol, 2,6-dimethyl-9-(phenylsulfonyl)-, 3-acetate 8-methanesulfonate
Alternate Name(s) 1-isopropenyl-4-methyl-6-[(methylsulfonyl)oxy]-7-(phenylsulfonyl)-7-octenyl acetate 8-Acetoxy-5,9-dimethyl-3-methylsulphonyloxy-2-phenyl-sulphonyldeca-1,9-diene
CAS Registry Number 130028-24-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O7S2
InChI InChI=1S/C21H30O7S2/c1-15(2)20(27-18(5)22)13-12-16(3)14-21(28-29(6,23)24)17(4)30(25,26)19-10-8-7-9-11-19/h7-11,16,20-21H,1,4,12-14H2,2-3,5-6H3
InChIKey YZCLZCQLDALMBP-UHFFFAOYSA-N
Molecular Weight 458.584 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(OS(=O)(=O)C)CC(CCC(OC(=O)C)C(=C)C)C)=C
SPLASH splash10-06vl-4901000000-0d30ab507a58ab51d98c
Source of Spectrum KC-1990-2155-4
Wiley ID 1389778