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D,L-1,4-phenylene-bis{[(methylthio)thioxomethylthio]acetic acid}
SpectraBase Compound ID 7Ugq3n5JyDr
InChI InChI=1S/C14H14O4S6/c1-21-13(19)23-9(11(15)16)7-3-5-8(6-4-7)10(12(17)18)24-14(20)22-2/h3-6,9-10H,1-2H3,(H,15,16)(H,17,18)
InChIKey KOEQPNCFWLZHBC-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C14H14O4S6
Exact Mass 437.921636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwPBVCna5DV
Name D,L-1,4-phenylene-bis{[(methylthio)thioxomethylthio]acetic acid}
CAS Registry Number 106064-70-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O4S6
InChI InChI=1S/C14H14O4S6/c1-21-13(19)23-9(11(15)16)7-3-5-8(6-4-7)10(12(17)18)24-14(20)22-2/h3-6,9-10H,1-2H3,(H,15,16)(H,17,18)
InChIKey KOEQPNCFWLZHBC-UHFFFAOYSA-N
Molecular Weight 438.622 g/mol
SMILES OC(C(c1ccc(C(C(=O)O)SC(=S)SC)cc1)SC(=S)SC)=O
SPLASH splash10-004m-9000000000-e6575958ad3523bbae02
Source of Spectrum K-120-417-5
Synonyms [4-(carboxy{[(methylsulfanyl)carbothioyl]sulfanyl}methyl)phenyl]{[(methylsulfanyl)carbothioyl]sulfanyl}acetic acid
Wiley ID 1383914