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2(3H)-benzofuranone, 5-hydroxy-4,7-dimethyl-6-(octylthio)-
SpectraBase Compound ID 4Bj1hYNySHl
InChI InChI=1S/C18H26O3S/c1-4-5-6-7-8-9-10-22-18-13(3)17-14(11-15(19)21-17)12(2)16(18)20/h20H,4-11H2,1-3H3
InChIKey KCXWRZNBUMCNLK-UHFFFAOYSA-N
Mol Weight 322.46 g/mol
Molecular Formula C18H26O3S
Exact Mass 322.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 744XY34kAkt
Name 2(3H)-benzofuranone, 5-hydroxy-4,7-dimethyl-6-(octylthio)-
Alternate Name(s) 5-Hydroxy-4,7-dimethyl-6-(octylthio)benzofuran-2(3H)-one 5-Hydroxy-4,7-dimethyl-6-(octylsulfanyl)-1-benzofuran-2(3H)-one 5-Hydroxy-4,7-dimethyl-6-(octylthio)-3H-benzofuran-2-one 5-Hydroxy-4,7-dimethyl-6-octylsulfanyl-3H-1-benzofuran-2-one 5-Hydroxy-4,7-dimethyl-6-octylsulfanyl-3H-benzofuran-2-one 4,7-Dimethyl-6-octylsulfanyl-5-oxidanyl-3H-1-benzofuran-2-one
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Formula C18H26O3S
InChI InChI=1S/C18H26O3S/c1-4-5-6-7-8-9-10-22-18-13(3)17-14(11-15(19)21-17)12(2)16(18)20/h20H,4-11H2,1-3H3
InChIKey KCXWRZNBUMCNLK-UHFFFAOYSA-N
Molecular Weight 322.463 g/mol
SMILES Oc1c(SCCCCCCCC)c(C)c2OC(=O)Cc2c1C
SPLASH splash10-00di-9335000000-009cc66675fe3aefcb7a
Source of Spectrum JX-2015-3-321
Wiley ID 1723894