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Methyl 3,4-dimethyl-5-phenyl-5-oxopentanedithioate
SpectraBase Compound ID 94c2M3ck45o
InChI InChI=1S/C14H18OS2/c1-10(9-13(16)17-3)11(2)14(15)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKey JWKVLVNBMVQRNY-UHFFFAOYSA-N
Mol Weight 266.42 g/mol
Molecular Formula C14H18OS2
Exact Mass 266.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AjIUBEqtj2
Name Methyl 3,4-dimethyl-5-phenyl-5-oxopentanedithioate
Alternate Name(s) Methyl 3,4-dimethyl-5-oxo-5-phenylpentanedithioate
CAS Registry Number 111300-59-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS2
InChI InChI=1S/C14H18OS2/c1-10(9-13(16)17-3)11(2)14(15)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKey JWKVLVNBMVQRNY-UHFFFAOYSA-N
Molecular Weight 266.417 g/mol
SMILES C(C(C(CC(=S)SC)C)C)(=O)c1ccccc1
SPLASH splash10-0a4i-4910000000-b60e004d10b7393945ca
Source of Spectrum F-44-3582-13
Wiley ID 1269783