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Benzoic acid, 2,3,5-tris(dodecylthio)-
SpectraBase Compound ID C2cEJU5wc3
InChI InChI=1S/C43H78O2S3/c1-4-7-10-13-16-19-22-25-28-31-34-46-39-37-40(43(44)45)42(48-36-33-30-27-24-21-18-15-12-9-6-3)41(38-39)47-35-32-29-26-23-20-17-14-11-8-5-2/h37-38H,4-36H2,1-3H3,(H,44,45)
InChIKey FXXLZRPDOBDWGF-UHFFFAOYSA-N
Mol Weight 723.3 g/mol
Molecular Formula C43H78O2S3
Exact Mass 722.516395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvnVM1YGO35
Name Benzoic acid, 2,3,5-tris(dodecylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H78O2S3
InChI InChI=1S/C43H78O2S3/c1-4-7-10-13-16-19-22-25-28-31-34-46-39-37-40(43(44)45)42(48-36-33-30-27-24-21-18-15-12-9-6-3)41(38-39)47-35-32-29-26-23-20-17-14-11-8-5-2/h37-38H,4-36H2,1-3H3,(H,44,45)
InChIKey FXXLZRPDOBDWGF-UHFFFAOYSA-N
Molecular Weight 723.275 g/mol
SMILES OC(c1c(c(cc(SCCCCCCCCCCCC)c1)SCCCCCCCCCCCC)SCCCCCCCCCCCC)=O
SPLASH splash10-00di-9000010700-7338e45bc889686f3dd4
Source of Spectrum JX-2015-4-1467
Synonyms 2,3,5-tris(dodecylthio)benzoic acid 2,3,5-tris(dodecylsulfanyl)benzoic acid
Wiley ID 1726850