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Isoxazole-4-carbonitrile, 5-(4-tert-butylphenyl)-3-methylthio-
SpectraBase Compound ID BZ0AJDTLMTu
InChI InChI=1S/C15H16N2OS/c1-15(2,3)11-7-5-10(6-8-11)13-12(9-16)14(19-4)17-18-13/h5-8H,1-4H3
InChIKey MJRIJJWETKJVBK-UHFFFAOYSA-N
Mol Weight 272.37 g/mol
Molecular Formula C15H16N2OS
Exact Mass 272.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oIGXbnFJh0
Name Isoxazole-4-carbonitrile, 5-(4-tert-butylphenyl)-3-methylthio-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2OS
InChI InChI=1S/C15H16N2OS/c1-15(2,3)11-7-5-10(6-8-11)13-12(9-16)14(19-4)17-18-13/h5-8H,1-4H3
InChIKey MJRIJJWETKJVBK-UHFFFAOYSA-N
Molecular Weight 272.366 g/mol
SMILES c1(c(onc1SC)-c1ccc(C(C)(C)C)cc1)C#N
SPLASH splash10-03di-4950000000-059a1580541bb8117d7d
Source of Spectrum AD-0-2532-0
Synonyms 5-(4-tert-Butylphenyl)-3-(methylsulfanyl)-4-isoxazolecarbonitrile 5-(4-tert-butylphenyl)-3-(methylthio)-4-isoxazolecarbonitrile 5-(4-tert-butylphenyl)-3-(methylthio)isoxazole-4-carbonitrile 5-(4-tert-butylphenyl)-3-methylsulfanyl-1,2-oxazole-4-carbonitrile 5-(4-tert-butylphenyl)-3-methylsulfanyl-isoxazole-4-carbonitrile
Wiley ID 1430350