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3-Methylthio-5-(6-(4-methoxyphenyl)-1,3,5-hexatrienyl)isoxazole
SpectraBase Compound ID Kn5zuAWAnkI
InChI InChI=1S/C17H17NO2S/c1-19-15-11-9-14(10-12-15)7-5-3-4-6-8-16-13-17(21-2)18-20-16/h3-13H,1-2H3/b4-3+,7-5+,8-6-
InChIKey BTSOZKDPQLRBHG-RQTBMDGKSA-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 E6N2ZqMb5je
Name 3-Methylthio-5-(6-(4-methoxyphenyl)-1,3,5-hexatrienyl)isoxazole
Alternate Name(s) 3-Methylthio-5-[6'-(4''-methoxyphenyl)-1',3',5'-hexatrienyl]isoxazole 5-[(1Z,3E,5E)-6-(4-methoxyphenyl)-1,3,5-hexatrienyl]-3-(methylsulfanyl)isoxazole Methyl 4-{(1E,3E,5Z)-6-[3-(methylsulfanyl)-5-isoxazolyl]-1,3,5-hexatrienyl}phenyl ether
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Formula C17H17NO2S
InChI InChI=1S/C17H17NO2S/c1-19-15-11-9-14(10-12-15)7-5-3-4-6-8-16-13-17(21-2)18-20-16/h3-13H,1-2H3/b4-3+,7-5+,8-6-
InChIKey BTSOZKDPQLRBHG-RQTBMDGKSA-N
Molecular Weight 299.388 g/mol
SMILES c1(noc(c1)\C=C/C=C/C=C/c1ccc(cc1)OC)SC
SPLASH splash10-0002-0190000000-1ea2c4065f5c03682e27
Source of Spectrum Y-28-1346-3
Wiley ID 1301994