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D,L-1,4-phenylene-bis{[(thiobenzoyl)thio]acetic acid}
SpectraBase Compound ID JSOzM7OsiEi
InChI InChI=1S/C24H18O4S4/c25-21(26)19(31-23(29)17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22(27)28)32-24(30)18-9-5-2-6-10-18/h1-14,19-20H,(H,25,26)(H,27,28)
InChIKey BGZIQVRJDAGMMC-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C24H18O4S4
Exact Mass 498.008794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qZlIUR6H8Y
Name D,L-1,4-phenylene-bis{[(thiobenzoyl)thio]acetic acid}
Alternate Name(s) (benzothioylsulfanyl){4-[(benzothioylsulfanyl)(carboxy)methyl]phenyl}acetic acid
CAS Registry Number 106064-68-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18O4S4
InChI InChI=1S/C24H18O4S4/c25-21(26)19(31-23(29)17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22(27)28)32-24(30)18-9-5-2-6-10-18/h1-14,19-20H,(H,25,26)(H,27,28)
InChIKey BGZIQVRJDAGMMC-UHFFFAOYSA-N
Molecular Weight 498.644 g/mol
SMILES OC(C(c1ccc(C(C(=O)O)SC(=S)c2ccccc2)cc1)SC(=S)c1ccccc1)=O
SPLASH splash10-00di-2900000000-3718cf5d4405d10d85ca
Source of Spectrum K-120-416-5
Wiley ID 1398500