For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9d9K1lM4ehR
Name Isopropyl (3E)-6-hydroxy-7-methyl-3-octenedithioate
CAS Registry Number 83041-08-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 246.427 g/mol
SMILES OC(C(C)C)C\C=C\CC(=S)SC(C)C
SPLASH splash10-0hfw-9320000000-86baaae7cd47ad593533
Source of Spectrum H-65-438-0
Synonyms (E)-6-hydroxy-7-methyl-3-octenedithioic acid propan-2-yl ester (E)-6-hydroxy-7-methyl-oct-3-enedithioic acid isopropyl ester 6-Hydroxy-7-methyl-oct-3-enedithioic acid, isopropyl ester isopropyl (E)-6-hydroxy-7-methyl-oct-3-enedithioate Propan-2-yl (E)-6-hydroxy-7-methyloct-3-enedithioate Propan-2-yl (E)-7-methyl-6-oxidanyl-oct-3-enedithioate
Wiley ID 1248670