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Syn-Phenyl 2-(1-Hydroxyethyl)pent-4-enedithioate isomer
SpectraBase Compound ID 1noAugGDnyD
InChI InChI=1S/C13H16OS2/c1-3-7-12(10(2)14)13(15)16-11-8-5-4-6-9-11/h3-6,8-10,12,14H,1,7H2,2H3
InChIKey UHPMEOGDIBXXOC-UHFFFAOYSA-N
Mol Weight 252.39 g/mol
Molecular Formula C13H16OS2
Exact Mass 252.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHjmim783C0
Name Syn-Phenyl 2-(1-Hydroxyethyl)pent-4-enedithioate isomer
Alternate Name(s) phenyl 2-(1-hydroxyethyl)-4-pentenedithioate
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Formula C13H16OS2
InChI InChI=1S/C13H16OS2/c1-3-7-12(10(2)14)13(15)16-11-8-5-4-6-9-11/h3-6,8-10,12,14H,1,7H2,2H3
InChIKey UHPMEOGDIBXXOC-UHFFFAOYSA-N
Molecular Weight 252.390 g/mol
SMILES OC(C(C(Sc1ccccc1)=S)CC=C)C
SPLASH splash10-00kb-9200000000-652c601d24b6eac0a361
Source of Spectrum F-47-6284-42
Wiley ID 1255288