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(E)-8-(tert-butylthio)-8-keto-oct-6-enoic acid propyl ester
SpectraBase Compound ID Lrbb0cDUJol
InChI InChI=1S/C15H26O3S/c1-5-12-18-13(16)10-8-6-7-9-11-14(17)19-15(2,3)4/h9,11H,5-8,10,12H2,1-4H3/b11-9+
InChIKey ANGGVMKUIMANLS-PKNBQFBNSA-N
Mol Weight 286.43 g/mol
Molecular Formula C15H26O3S
Exact Mass 286.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGbvCLYl4TN
Name (E)-8-(tert-butylthio)-8-keto-oct-6-enoic acid propyl ester
Alternate Name(s) (E)-8-(tert-butylthio)-8-oxo-6-octenoic acid propyl ester Propyl (E)-8-tert-butylsulfanyl-8-oxidanylidene-oct-6-enoate Propyl (E)-8-tert-butylsulfanyl-8-oxo-oct-6-enoate
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Formula C15H26O3S
InChI InChI=1S/C15H26O3S/c1-5-12-18-13(16)10-8-6-7-9-11-14(17)19-15(2,3)4/h9,11H,5-8,10,12H2,1-4H3/b11-9+
InChIKey ANGGVMKUIMANLS-PKNBQFBNSA-N
Molecular Weight 286.430 g/mol
SMILES C(CCCC\C=C\C(=O)SC(C)(C)C)(=O)OCCC
SPLASH splash10-0a4i-9500000000-12faba7b30bf7ffc2980
Source of Spectrum U1-2002-3426-11
Wiley ID 1523284