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D,L-1,3-phenylene-bis{[(thiobenzoyl)thio]acetic acid}
SpectraBase Compound ID KVAqkXxeSrY
InChI InChI=1S/C24H18O4S4/c25-21(26)19(31-23(29)15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(22(27)28)32-24(30)16-10-5-2-6-11-16/h1-14,19-20H,(H,25,26)(H,27,28)
InChIKey LWTFDTCNENQFSP-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 8T0cAxy4qlx
Name D,L-1,3-phenylene-bis{[(thiobenzoyl)thio]acetic acid}
CAS Registry Number 106064-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18O4S4
InChI InChI=1S/C24H18O4S4/c25-21(26)19(31-23(29)15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(22(27)28)32-24(30)16-10-5-2-6-11-16/h1-14,19-20H,(H,25,26)(H,27,28)
InChIKey LWTFDTCNENQFSP-UHFFFAOYSA-N
Molecular Weight 498.644 g/mol
SMILES OC(C(c1cc(C(C(=O)O)SC(=S)c2ccccc2)ccc1)SC(=S)c1ccccc1)=O
SPLASH splash10-00b9-3910000000-acae5229666e751c538c
Source of Spectrum K-120-418-16
Synonyms (benzothioylsulfanyl){3-[(benzothioylsulfanyl)(carboxy)methyl]phenyl}acetic acid
Wiley ID 1398501