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Thiourea, N-(2,6-dimethylphenyl)-N'-(5-methyl-4-isoxazolyl)-
SpectraBase Compound ID 3GLzyLR3hGX
InChI InChI=1S/C13H15N3OS/c1-8-5-4-6-9(2)12(8)16-13(18)15-11-7-14-17-10(11)3/h4-7H,1-3H3,(H2,15,16,18)
InChIKey HZQDDAJOHBSTQC-UHFFFAOYSA-N
Mol Weight 261.34 g/mol
Molecular Formula C13H15N3OS
Exact Mass 261.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WTbRJs1yBI
Name Thiourea, N-(2,6-dimethylphenyl)-N'-(5-methyl-4-isoxazolyl)-
Alternate Name(s) N-(2,6-dimethylphenyl)-N'(5-methylisoxazol-4-yl)thiourea N-(2,6-dimethylphenyl)-N'-(5-methyl-4-isoxazolyl)thiourea
CAS Registry Number 122686-11-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3OS
InChI InChI=1S/C13H15N3OS/c1-8-5-4-6-9(2)12(8)16-13(18)15-11-7-14-17-10(11)3/h4-7H,1-3H3,(H2,15,16,18)
InChIKey HZQDDAJOHBSTQC-UHFFFAOYSA-N
Molecular Weight 261.343 g/mol
SMILES N(C(Nc1c(cccc1C)C)=S)c1c(onc1)C
SPLASH splash10-03gi-4930000000-8ab611806b2adc1d7993
Source of Spectrum H-72-564-3
Wiley ID 1264641