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Isopropyl (3E)-6-hydroxy-7-methyl-3-octenedithioate
SpectraBase Compound ID AvSBehoXscV
InChI InChI=1S/C12H22OS2/c1-9(2)11(13)7-5-6-8-12(14)15-10(3)4/h5-6,9-11,13H,7-8H2,1-4H3/b6-5+
InChIKey QUXAZDFXDSUZJK-AATRIKPKSA-N
Mol Weight 246.43 g/mol
Molecular Formula C12H22OS2
Exact Mass 246.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Zc2IcAHQmJ
Name 6-HYDROXY-7-METHYLOCT-3-ENEDITHIOIC ACID, ISOPROPYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H22OS2
InChI InChI=1S/C12H22OS2/c1-9(2)11(13)7-5-6-8-12(14)15-10(3)4/h5-6,9-11,13H,7-8H2,1-4H3/b6-5+
InChIKey QUXAZDFXDSUZJK-AATRIKPKSA-N
Molecular Weight 246.1107
SMILES OC(C\C=C\CC(SC(C)C)=S)C(C)C
SPLASH splash10-00kg-9410000000-716f9509874b65b68f3f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany