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D,L-1,4-phenylene-bis{[(butylthio)thioxomethylthio]acetic acid}
SpectraBase Compound ID KIoWiI7tpLq
InChI InChI=1S/C20H26O4S6/c1-3-5-11-27-19(25)29-15(17(21)22)13-7-9-14(10-8-13)16(18(23)24)30-20(26)28-12-6-4-2/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKey JCYZLNPQSDZWPD-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 J1z44kz4Vc4
Name D,L-1,4-phenylene-bis{[(butylthio)thioxomethylthio]acetic acid}
CAS Registry Number 106064-72-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4S6
InChI InChI=1S/C20H26O4S6/c1-3-5-11-27-19(25)29-15(17(21)22)13-7-9-14(10-8-13)16(18(23)24)30-20(26)28-12-6-4-2/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKey JCYZLNPQSDZWPD-UHFFFAOYSA-N
Molecular Weight 522.784 g/mol
SMILES OC(C(c1ccc(C(C(=O)O)SC(=S)SCCCC)cc1)SC(=S)SCCCC)=O
SPLASH splash10-0a6r-9100000000-f7850c7ffb219145a598
Source of Spectrum K-120-417-5
Synonyms {[(butylsulfanyl)carbothioyl]sulfanyl}{4-[{[(butylsulfanyl)carbothioyl]sulfanyl}(carboxy)methyl]phenyl}acetic acid
Wiley ID 1402187