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9-Octadecenethioic acid, 12-hydroxy-, S-t-butyl ester
SpectraBase Compound ID 1AQJc0KMHvi
InChI InChI=1S/C22H42O2S/c1-5-6-7-14-17-20(23)18-15-12-10-8-9-11-13-16-19-21(24)25-22(2,3)4/h12,15,20,23H,5-11,13-14,16-19H2,1-4H3/b15-12+
InChIKey YJXRVYGWMCQANV-NTCAYCPXSA-N
Mol Weight 370.6 g/mol
Molecular Formula C22H42O2S
Exact Mass 370.290552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Ea03XLQb9G
Name 9-Octadecenethioic acid, 12-hydroxy-, S-t-butyl ester
Alternate Name(s) (E)-12-hydroxy-9-octadecenethioic acid S-tert-butyl ester (E)-12-hydroxyoctadec-9-enethioic acid S-tert-butyl ester S-(tert-Butyl) (9E)-12-hydroxy-9-octadecenethioate S-tert-butyl (E)-12-hydroxyoctadec-9-enethioate S-tert-butyl (E)-12-oxidanyloctadec-9-enethioate
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Formula C22H42O2S
InChI InChI=1S/C22H42O2S/c1-5-6-7-14-17-20(23)18-15-12-10-8-9-11-13-16-19-21(24)25-22(2,3)4/h12,15,20,23H,5-11,13-14,16-19H2,1-4H3/b15-12+
InChIKey YJXRVYGWMCQANV-NTCAYCPXSA-N
Molecular Weight 370.636 g/mol
SMILES OC(CCCCCC)C\C=C\CCCCCCCC(=O)SC(C)(C)C
SPLASH splash10-066s-9600000000-5fd3d7c852efe24a2683
Wiley ID 1479602