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Isopropyl (3E)-5-(1-hydroxycyclohexyl)-3-pentenedithioate
SpectraBase Compound ID 6AAaCATRdXS
InChI InChI=1S/C14H24OS2/c1-12(2)17-13(16)8-4-7-11-14(15)9-5-3-6-10-14/h4,7,12,15H,3,5-6,8-11H2,1-2H3/b7-4+
InChIKey JZEMHJSDZQGCNW-QPJJXVBHSA-N
Mol Weight 272.46 g/mol
Molecular Formula C14H24OS2
Exact Mass 272.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Li5t20SmHAd
Name Isopropyl (3E)-5-(1-hydroxycyclohexyl)-3-pentenedithioate
Alternate Name(s) (E)-5-(1-hydroxycyclohexyl)-3-pentenedithioic acid propan-2-yl ester (E)-5-(1-hydroxycyclohexyl)pent-3-enedithioic acid isopropyl ester isopropyl (E)-5-(1-hydroxycyclohexyl)pent-3-enedithioate Propan-2-yl (E)-5-(1-hydroxycyclohexyl)pent-3-enedithioate Propan-2-yl (E)-5-(1-oxidanylcyclohexyl)pent-3-enedithioate
CAS Registry Number 83041-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24OS2
InChI InChI=1S/C14H24OS2/c1-12(2)17-13(16)8-4-7-11-14(15)9-5-3-6-10-14/h4,7,12,15H,3,5-6,8-11H2,1-2H3/b7-4+
InChIKey JZEMHJSDZQGCNW-QPJJXVBHSA-N
Molecular Weight 272.465 g/mol
SMILES OC1(CCCCC1)C\C=C\CC(=S)SC(C)C
SPLASH splash10-05du-8940000000-1cd81e71565320ab48a3
Wiley ID 1482293