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HYDROXYKETONE
SpectraBase Compound ID B5zNwPwgn82
InChI InChI=1S/C19H29NO2S/c1-5-18(21)14(2)10-8-6-7-9-11-19(22)15(3)12-17-13-23-16(4)20-17/h7,9,12-14,19,22H,5-6,8,10-11H2,1-4H3/b9-7-,15-12+/t14-,19-/m0/s1
InChIKey JSKPINUBZQXMGD-HKTQOPCXSA-N
Mol Weight 335.51 g/mol
Molecular Formula C19H29NO2S
Exact Mass 335.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIAkzZNXeqU
Name 4,12-Dimethyl-11-hydroxy-13-(2'-methylthiazol-4'-yl)-tridecadeca-8,12-dien-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29NO2S
InChI InChI=1S/C19H29NO2S/c1-5-18(21)14(2)10-8-6-7-9-11-19(22)15(3)12-17-13-23-16(4)20-17/h7,9,12-14,19,22H,5-6,8,10-11H2,1-4H3/b9-7-,15-12+/t14-,19-/m0/s1
InChIKey JSKPINUBZQXMGD-HKTQOPCXSA-N
Molecular Weight 335.506 g/mol
SMILES O[C@](\C(=C\c1nc(sc1)C)C)(C\C=C/CCC[C@@](C(=O)CC)(C)[H])[H]
SPLASH splash10-014i-0900000000-86781b12149ae52730ae
Source of Spectrum G4-64-855-38
Synonyms (4S,8Z,11S,12E)-11-hydroxy-4,12-dimethyl-13-(2-methyl-4-thiazolyl)-3-trideca-8,12-dienone (4S,8Z,11S,12E)-11-hydroxy-4,12-dimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one (4S,8Z,11S,12E)-4,12-dimethyl-13-(2-methyl-1,3-thiazol-4-yl)-11-oxidanyl-trideca-8,12-dien-3-one
Wiley ID 1609084