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D,L-1,4-phenylene-bis{[(t-butylthio)thioxomethylthio]acetic acid}
SpectraBase Compound ID 1xhAXLfJTxT
InChI InChI=1S/C20H26O4S6/c1-19(2,3)29-17(25)27-13(15(21)22)11-7-9-12(10-8-11)14(16(23)24)28-18(26)30-20(4,5)6/h7-10,13-14H,1-6H3,(H,21,22)(H,23,24)
InChIKey OKEHTTQKFGTQCM-UHFFFAOYSA-N
Mol Weight 522.8 g/mol
Molecular Formula C20H26O4S6
Exact Mass 522.015536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JlQT1MhNYS
Name D,L-1,4-phenylene-bis{[(t-butylthio)thioxomethylthio]acetic acid}
CAS Registry Number 106064-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4S6
InChI InChI=1S/C20H26O4S6/c1-19(2,3)29-17(25)27-13(15(21)22)11-7-9-12(10-8-11)14(16(23)24)28-18(26)30-20(4,5)6/h7-10,13-14H,1-6H3,(H,21,22)(H,23,24)
InChIKey OKEHTTQKFGTQCM-UHFFFAOYSA-N
Molecular Weight 522.784 g/mol
SMILES OC(C(c1ccc(C(C(=O)O)SC(SC(C)(C)C)=S)cc1)SC(SC(C)(C)C)=S)=O
SPLASH splash10-056r-9000000000-27a70a3d66d17c6ea6cd
Source of Spectrum K-120-417-5
Synonyms {[(tert-butylsulfanyl)carbothioyl]sulfanyl}{4-[{[(tert-butylsulfanyl)carbothioyl]sulfanyl}(carboxy)methyl]phenyl}acetic acid
Wiley ID 1402188