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3-[2,5-bis[(Dimethylethyl)thio]-4-carboxyvinyl]phenyl-2-propenoic acid
SpectraBase Compound ID GDMeXIHrTAR
InChI InChI=1S/C20H26O4S2/c1-8-24-18(23)14-12-15(25-19(2,3)4)13(9-10-17(21)22)11-16(14)26-20(5,6)7/h8-12H,1H2,2-7H3,(H,21,22)/b10-9+
InChIKey LUYKWGRDKPXYCY-MDZDMXLPSA-N
Mol Weight 394.54 g/mol
Molecular Formula C20H26O4S2
Exact Mass 394.127252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cwj0jSd8xnP
Name 3-[2,5-bis[(Dimethylethyl)thio]-4-carboxyvinyl]phenyl-2-propenoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C20H26O4S2
InChI InChI=1S/C20H26O4S2/c1-8-24-18(23)14-12-15(25-19(2,3)4)13(9-10-17(21)22)11-16(14)26-20(5,6)7/h8-12H,1H2,2-7H3,(H,21,22)/b10-9+
InChIKey LUYKWGRDKPXYCY-MDZDMXLPSA-N
Molecular Weight 394.544 g/mol
SMILES OC(\C=C\c1c(cc(c(SC(C)(C)C)c1)C(=O)OC=C)SC(C)(C)C)=O
SPLASH splash10-0a4i-9000000000-1a3a067c4321ba288aa5
Source of Spectrum U-1996-294-17
Synonyms (2E)-3-{2,5-bis(tert-butylsulfanyl)-4-[(vinyloxy)carbonyl]phenyl}-2-propenoic acid
Wiley ID 768211