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Ethanethioic acid, S-[(methylthio)phenylmethyl]ester
SpectraBase Compound ID 5AL46sAGsNK
InChI InChI=1S/C10H12OS2/c1-8(11)13-10(12-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKey KLULPQCLCCRDJF-UHFFFAOYSA-N
Mol Weight 212.32 g/mol
Molecular Formula C10H12OS2
Exact Mass 212.032957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tPXqPaRbY9
Name Ethanethioic acid, S-[(methylthio)phenylmethyl]ester
Alternate Name(s) 3-Phenyl-2,4-dithiahexan-5-one S-[(methylsulfanyl)(phenyl)methyl]ethanethioate Ethanethioic acid S-[(methylthio)-phenylmethyl] ester S-[methylsulfanyl(phenyl)methyl] ethanethioate
CAS Registry Number 69078-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS2
InChI InChI=1S/C10H12OS2/c1-8(11)13-10(12-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKey KLULPQCLCCRDJF-UHFFFAOYSA-N
Molecular Weight 212.325 g/mol
SMILES C(SC(=O)C)(c1ccccc1)SC
SPLASH splash10-00dr-3900000000-331a88c94ecbff14f4e7
Source of Spectrum H-61-2356-0
Wiley ID 1210931