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5,5'-bis{3'- [5"-Methyl-2"-(ethylthio)thiophen-3"-yl]-3',4'-dihydroisoxazolyl}
SpectraBase Compound ID AZMnvDbtMbG
InChI InChI=1S/C20H22N2O2S4/c1-11-7-15-17-9-13(23-21-17)4-6-26-20-16(8-12(2)28-20)18-10-14(24-22-18)3-5-25-19(15)27-11/h7-8,13-14H,3-6,9-10H2,1-2H3
InChIKey QKJTZZRYQGVTFR-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C20H22N2O2S4
Exact Mass 450.056413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOywrC1vY2z
Name 5,5'-bis{3'- [5"-Methyl-2"-(ethylthio)thiophen-3"-yl]-3',4'-dihydroisoxazolyl}
Alternate Name(s) 5,5'-bis{3'-[5''-Methyl-2''-(ethylthio)thiophen-3''-yl]-3',4'-dihydroisoxazolyl}
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O2S4
InChI InChI=1S/C20H22N2O2S4/c1-11-7-15-17-9-13(23-21-17)4-6-26-20-16(8-12(2)28-20)18-10-14(24-22-18)3-5-25-19(15)27-11/h7-8,13-14H,3-6,9-10H2,1-2H3
InChIKey QKJTZZRYQGVTFR-UHFFFAOYSA-N
Molecular Weight 450.648 g/mol
SMILES c12c(sc(c2)C)SCCC2ON=C(C2)c2c(SCCC3CC1=NO3)sc(C)c2
SPLASH splash10-01b9-0930200000-fbcd79e3e34b6cd2f625
Source of Spectrum QF-40-2477-0
Wiley ID 832691