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Cyclic form of 3,3'-bis{2"-(Ethylthio)-3"-[3'"-methyl-3"',4"'-dihydroisoxazolyl]-5"-methylthiophene}
SpectraBase Compound ID CMT3qaRihDo
InChI InChI=1S/C22H26N2O2S4/c1-13-9-15-17-11-21(3,25-23-17)6-8-28-20-16(10-14(2)30-20)18-12-22(4,26-24-18)5-7-27-19(15)29-13/h9-10H,5-8,11-12H2,1-4H3
InChIKey TUCVWOZQALCIAA-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C22H26N2O2S4
Exact Mass 478.087713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkhzRBnoLvH
Name Cyclic form of 3,3'-bis{2"-(Ethylthio)-3"-[3'"-methyl-3"',4"'-dihydroisoxazolyl]-5"-methylthiophene}
Alternate Name(s) 3,3'-bis{2''-(Ethylthio)-3''-[3'''-methyl-3''',4'''-dihydroisoxazolyl]-5''-methylthiophene}
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Formula C22H26N2O2S4
InChI InChI=1S/C22H26N2O2S4/c1-13-9-15-17-11-21(3,25-23-17)6-8-28-20-16(10-14(2)30-20)18-12-22(4,26-24-18)5-7-27-19(15)29-13/h9-10H,5-8,11-12H2,1-4H3
InChIKey TUCVWOZQALCIAA-UHFFFAOYSA-N
Molecular Weight 478.702 g/mol
SMILES c12c(sc(c2)C)SCCC2(ON=C(C2)c2c(SCCC3(CC1=NO3)C)sc(C)c2)C
SPLASH splash10-042i-0490400000-149f9ad74f5f1b8d9d46
Source of Spectrum QF-42-1207-5
Wiley ID 833092