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4,6-Heptadien-1-ol, 5-(methylthio)-, 4-methylbenzenesulfonate, (Z)-
SpectraBase Compound ID 4aOW3Z3eFGW
InChI InChI=1S/C15H20O3S2/c1-4-14(19-3)7-5-6-12-18-20(16,17)15-10-8-13(2)9-11-15/h4,7-11H,1,5-6,12H2,2-3H3/b14-7-
InChIKey CLQCLZRFAFZJHT-AUWJEWJLSA-N
Mol Weight 312.44 g/mol
Molecular Formula C15H20O3S2
Exact Mass 312.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dBJ4gkD9Ir
Name 4,6-Heptadien-1-ol, 5-(methylthio)-, 4-methylbenzenesulfonate, (Z)-
Alternate Name(s) (4Z)-5-(methylsulfanyl)-4,6-heptadienyl 4-methylbenzenesulfonate (Z)-7-[(p-tolylsulfonyl)oxy]-3-(methylthio)hepta-1,3-di-ene
CAS Registry Number 128845-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3S2
InChI InChI=1S/C15H20O3S2/c1-4-14(19-3)7-5-6-12-18-20(16,17)15-10-8-13(2)9-11-15/h4,7-11H,1,5-6,12H2,2-3H3/b14-7-
InChIKey CLQCLZRFAFZJHT-AUWJEWJLSA-N
Molecular Weight 312.442 g/mol
SMILES c1(S(=O)(=O)OCCC\C=C\(C=C)SC)ccc(cc1)C
SPLASH splash10-002f-9800000000-579c57159145297b92a9
Source of Spectrum J-55-5734-95
Wiley ID 1313021