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Isothiourea, 1-(4-chloro-2-methylphenyl)-2-methyl-3-(1,1-dimethyl-2-propynyl)-
SpectraBase Compound ID GSzgsCA9VV9
InChI InChI=1S/C14H17ClN2S/c1-6-14(3,4)17-13(18-5)16-12-8-7-11(15)9-10(12)2/h1,7-9H,2-5H3,(H,16,17)
InChIKey XSEQLPXFLIAZOO-UHFFFAOYSA-N
Mol Weight 280.82 g/mol
Molecular Formula C14H17ClN2S
Exact Mass 280.080097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F63bt6dNvTr
Name Isothiourea, 1-(4-chloro-2-methylphenyl)-2-methyl-3-(1,1-dimethyl-2-propynyl)-
Alternate Name(s) 1-(4-Chloro-2-methyl-phenyl)-3-(1,1-dimethylprop-2-ynyl)-2-methyl-isothiourea Methyl N-(4-chloranyl-2-methyl-phenyl)-N'-(2-methylbut-3-yn-2-yl)carbamimidothioate Methyl N-(4-chloro-2-methylphenyl)-N'-(2-methylbut-3-yn-2-yl)carbamimidothioate Methyl N-(4-chloro-2-methylphenyl)-N'-[(Z)-1,1-dimethyl-2-propynyl]imidothiocarbamate N-(4-chloro-2-methylphenyl)-N'-(2-methylbut-3-yn-2-yl)carbamimidothioic acid methyl ester
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Formula C14H17ClN2S
InChI InChI=1S/C14H17ClN2S/c1-6-14(3,4)17-13(18-5)16-12-8-7-11(15)9-10(12)2/h1,7-9H,2-5H3,(H,16,17)
InChIKey XSEQLPXFLIAZOO-UHFFFAOYSA-N
Molecular Weight 280.817 g/mol
SMILES N(\C(=N\C(C#C)(C)C)SC)c1c(cc(Cl)cc1)C
SPLASH splash10-014i-4390000000-551ee4c4ebee339293eb
Source of Spectrum AD-0-2532-0
Wiley ID 1428771