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3-Octene(dithioic) acid, 6-hydroxy-, 1-methylethyl ester, (E)-
SpectraBase Compound ID CHRYCkbdHKP
InChI InChI=1S/C11H20OS2/c1-4-10(12)7-5-6-8-11(13)14-9(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3/b6-5+
InChIKey POYNHVWNZOCYIU-AATRIKPKSA-N
Mol Weight 232.4 g/mol
Molecular Formula C11H20OS2
Exact Mass 232.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2L3AFEeAcTD
Name 3-Octene(dithioic) acid, 6-hydroxy-, 1-methylethyl ester, (E)-
Alternate Name(s) isopropyl (3E)-6-hydroxy-3-octenedithioate Isopropyl 6-hydroxy-3-octenedithioate
CAS Registry Number 83041-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20OS2
InChI InChI=1S/C11H20OS2/c1-4-10(12)7-5-6-8-11(13)14-9(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3/b6-5+
InChIKey POYNHVWNZOCYIU-AATRIKPKSA-N
Molecular Weight 232.400 g/mol
SMILES OC(C\C=C\CC(=S)SC(C)C)CC
SPLASH splash10-052p-9400000000-72cfe5109c18cab2096f
Source of Spectrum H-65-438-0
Wiley ID 1233469