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3-Heptene(dithioic) acid, 6-hydroxy-6-methyl-, 1-methylethyl ester, (E)-
SpectraBase Compound ID BLVxVqf6WtC
InChI InChI=1S/C11H20OS2/c1-9(2)14-10(13)7-5-6-8-11(3,4)12/h5-6,9,12H,7-8H2,1-4H3/b6-5+
InChIKey ZKEDSZJFJHHJRO-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 JcVhnFW7Jm5
Name 3-Heptene(dithioic) acid, 6-hydroxy-6-methyl-, 1-methylethyl ester, (E)-
CAS Registry Number 83041-11-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20OS2
InChI InChI=1S/C11H20OS2/c1-9(2)14-10(13)7-5-6-8-11(3,4)12/h5-6,9,12H,7-8H2,1-4H3/b6-5+
InChIKey ZKEDSZJFJHHJRO-AATRIKPKSA-N
Molecular Weight 232.400 g/mol
SMILES OC(C)(C)C\C=C\CC(=S)SC(C)C
SPLASH splash10-0537-9400000000-192cf96f3d1ab1d3e4cb
Synonyms Isopropyl (3E)-6-hydroxy-6-methyl-3-heptenedithioate (E)-6-hydroxy-6-methyl-3-heptenedithioic acid propan-2-yl ester (E)-6-hydroxy-6-methyl-hept-3-enedithioic acid isopropyl ester isopropyl (E)-6-hydroxy-6-methyl-hept-3-enedithioate Propan-2-yl (E)-6-hydroxy-6-methylhept-3-enedithioate Propan-2-yl (E)-6-methyl-6-oxidanyl-hept-3-enedithioate
Wiley ID 1488242