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8,11-Thio-LTB4 - Methyl Ester
SpectraBase Compound ID 40pEMZ1E1Km
InChI InChI=1S/C21H32O4S/c1-3-4-5-6-7-8-11-19(23)20-16-15-18(26-20)14-13-17(22)10-9-12-21(24)25-2/h7-8,13-17,19,22-23H,3-6,9-12H2,1-2H3/b8-7-,14-13-
InChIKey IKZZYLVOLNOFDC-WRKWTSPFSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O4S
Exact Mass 380.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31GlBTiVgfT
Name 8,11-Thio-LTB4 - Methyl Ester
Comments Less than 3 mono-isotopic peaks
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Formula C21H32O4S
InChI InChI=1S/C21H32O4S/c1-3-4-5-6-7-8-11-19(23)20-16-15-18(26-20)14-13-17(22)10-9-12-21(24)25-2/h7-8,13-17,19,22-23H,3-6,9-12H2,1-2H3/b8-7-,14-13-
InChIKey IKZZYLVOLNOFDC-WRKWTSPFSA-N
Molecular Weight 380.543 g/mol
SMILES OC(\C=C/c1sc(C(O)C\C=C/CCCCC)cc1)CCCC(=O)OC
SPLASH splash10-004i-0900000000-fd0f66afb795e04d1c28
Source of Spectrum D9-4-111-12
Synonyms 8,11-thio-[leucotriene-b4]- methyl ester
Wiley ID 1546180