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D,L-1,4-phenylene-bis{[(thioacetyl)thio]acetic acid}
SpectraBase Compound ID BYE95PYB6hi
InChI InChI=1S/C14H14O4S4/c1-7(19)21-11(13(15)16)9-3-5-10(6-4-9)12(14(17)18)22-8(2)20/h3-6,11-12H,1-2H3,(H,15,16)(H,17,18)
InChIKey MJPYYOKDRDWVEJ-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C14H14O4S4
Exact Mass 373.977494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fa7MLWi7S8p
Name D,L-1,4-phenylene-bis{[(thioacetyl)thio]acetic acid}
CAS Registry Number 106064-69-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O4S4
InChI InChI=1S/C14H14O4S4/c1-7(19)21-11(13(15)16)9-3-5-10(6-4-9)12(14(17)18)22-8(2)20/h3-6,11-12H,1-2H3,(H,15,16)(H,17,18)
InChIKey MJPYYOKDRDWVEJ-UHFFFAOYSA-N
Molecular Weight 374.502 g/mol
SMILES OC(C(c1ccc(C(C(=O)O)SC(=S)C)cc1)SC(=S)C)=O
SPLASH splash10-0a4l-9110000000-a82077b9f78334d7e0a5
Source of Spectrum K-120-417-5
Synonyms {4-[carboxy(ethanethioylsulfanyl)methyl]phenyl}(ethanethioylsulfanyl)acetic acid
Wiley ID 1356323