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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 GY6JxA7GgcA
Name 3-HEPTENE(DITHIOIC) ACID, 6-HYDROXY-6-METHYL-, 1-METHYLETHYL ESTER, (E)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 232.0951
SMILES OC(C\C=C\CC(SC(C)C)=S)(C)C
SPLASH splash10-0537-9400000000-feabb1b6c01cbd2f3dd1
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany