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5-Methylthio-3-[6'-(4"-methoxyphenyl)-1',3',5'-hexatrienyl]isoxazole
SpectraBase Compound ID 6bQA8LcJsbL
InChI InChI=1S/C17H17NO2S/c1-19-16-11-9-14(10-12-16)7-5-3-4-6-8-15-13-17(21-2)20-18-15/h3-13H,1-2H3/b4-3+,7-5-,8-6-
InChIKey KGZDPUDKERLKNV-DVLZSMJMSA-N
Mol Weight 299.39 g/mol
Molecular Formula C17H17NO2S
Exact Mass 299.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwlWAbrGikI
Name 5-Methylthio-3-[6'-(4"-methoxyphenyl)-1',3',5'-hexatrienyl]isoxazole
Alternate Name(s) 3-[(1Z,3E,5Z)-6-(4-methoxyphenyl)-1,3,5-hexatrienyl]-5-(methylsulfanyl)isoxazole Methyl 4-{(1Z,3E,5Z)-6-[5-(methylsulfanyl)-3-isoxazolyl]-1,3,5-hexatrienyl}phenyl ether
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Formula C17H17NO2S
InChI InChI=1S/C17H17NO2S/c1-19-16-11-9-14(10-12-16)7-5-3-4-6-8-15-13-17(21-2)20-18-15/h3-13H,1-2H3/b4-3+,7-5-,8-6-
InChIKey KGZDPUDKERLKNV-DVLZSMJMSA-N
Molecular Weight 299.388 g/mol
SMILES c1c(onc1\C=C/C=C/C=C\c1ccc(cc1)OC)SC
SPLASH splash10-0udi-0090000000-6bbeb7704e8d3205906d
Source of Spectrum Y-28-1345-2
Wiley ID 1301996