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1,9-Decadiene-3,8-diol, 2,6-dimethyl-9-(phenylsulfonyl)-, 3-acetate
SpectraBase Compound ID DpRzfPFCsMI
InChI InChI=1S/C20H28O5S/c1-14(2)20(25-17(5)21)12-11-15(3)13-19(22)16(4)26(23,24)18-9-7-6-8-10-18/h6-10,15,19-20,22H,1,4,11-13H2,2-3,5H3
InChIKey JGOYXMKCRPLPCC-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C20H28O5S
Exact Mass 380.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Hd25jSCUER
Name 1,9-Decadiene-3,8-diol, 2,6-dimethyl-9-(phenylsulfonyl)-, 3-acetate
CAS Registry Number 130042-39-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O5S
InChI InChI=1S/C20H28O5S/c1-14(2)20(25-17(5)21)12-11-15(3)13-19(22)16(4)26(23,24)18-9-7-6-8-10-18/h6-10,15,19-20,22H,1,4,11-13H2,2-3,5H3
InChIKey JGOYXMKCRPLPCC-UHFFFAOYSA-N
Molecular Weight 380.499 g/mol
SMILES OC(C(S(=O)(=O)c1ccccc1)=C)CC(CCC(OC(=O)C)C(=C)C)C
SPLASH splash10-004l-8900000000-ab7e65d5662ac3f30d0b
Source of Spectrum F-46-5598-8
Synonyms 6-Hydroxy-1-isopropenyl-4-methyl-7-(phenylsulfonyl)-7-octenyl acetate 8-Acetoxy-2-benzenesulfonyl-5,9-dimethyl-3-hydroxy-1,9-decadiene
Wiley ID 1359677