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11-Tridecene-4,6-diol, 2,8,12-trimethyl-5-(phenylsulfonyl)-
SpectraBase Compound ID Kn8k33GqPrU
InChI InChI=1S/C22H36O4S/c1-16(2)10-9-11-18(5)15-21(24)22(20(23)14-17(3)4)27(25,26)19-12-7-6-8-13-19/h6-8,10,12-13,17-18,20-24H,9,11,14-15H2,1-5H3
InChIKey NIOBBUVDNYZMAK-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C22H36O4S
Exact Mass 396.233431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NmhAechT3Q
Name 11-Tridecene-4,6-diol, 2,8,12-trimethyl-5-(phenylsulfonyl)-
Alternate Name(s) 2,8,12-trimethyl-5-(phenylsulfonyl)-11-tridecene-4,6-diol 2,8,12-Trimethyl-5-phenylsulphonyltridec-11-ene-4,6-diol
CAS Registry Number 119061-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4S
InChI InChI=1S/C22H36O4S/c1-16(2)10-9-11-18(5)15-21(24)22(20(23)14-17(3)4)27(25,26)19-12-7-6-8-13-19/h6-8,10,12-13,17-18,20-24H,9,11,14-15H2,1-5H3
InChIKey NIOBBUVDNYZMAK-UHFFFAOYSA-N
Molecular Weight 396.586 g/mol
SMILES OC(C(C(CC(C)C)O)S(=O)(=O)c1ccccc1)CC(CCC=C(C)C)C
SPLASH splash10-00dl-0890000000-94ccd94aa19a38774012
Source of Spectrum KC-1988-2401-3
Wiley ID 1367483