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Isopropyl (3E)-6-hydroxy-7,7-dimethyl-3-octenedithioate
SpectraBase Compound ID FnNCNBN5waK
InChI InChI=1S/C13H24OS2/c1-10(2)16-12(15)9-7-6-8-11(14)13(3,4)5/h6-7,10-11,14H,8-9H2,1-5H3/b7-6+
InChIKey XVVIPCVMBFNBPX-VOTSOKGWSA-N
Mol Weight 260.45 g/mol
Molecular Formula C13H24OS2
Exact Mass 260.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4gYsY0jHZD
Name Isopropyl (3E)-6-hydroxy-7,7-dimethyl-3-octenedithioate
CAS Registry Number 83041-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24OS2
InChI InChI=1S/C13H24OS2/c1-10(2)16-12(15)9-7-6-8-11(14)13(3,4)5/h6-7,10-11,14H,8-9H2,1-5H3/b7-6+
InChIKey XVVIPCVMBFNBPX-VOTSOKGWSA-N
Molecular Weight 260.454 g/mol
SMILES OC(C(C)(C)C)C\C=C\CC(=S)SC(C)C
SPLASH splash10-0arv-9530000000-8fd2736491e52327540b
Source of Spectrum H-65-438-0
Synonyms (E)-6-hydroxy-7,7-dimethyl-3-octenedithioic acid propan-2-yl ester (E)-6-hydroxy-7,7-dimethyl-oct-3-enedithioic acid isopropyl ester 6-Hydroxy-7,7-dimethyl-oct-3-enedithioic acid, isopropyl ester isopropyl (E)-6-hydroxy-7,7-dimethyl-oct-3-enedithioate Propan-2-yl (E)-6-hydroxy-7,7-dimethyloct-3-enedithioate Propan-2-yl (E)-7,7-dimethyl-6-oxidanyl-oct-3-enedithioate
Wiley ID 1263520