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Isothiourea, 2-methyl-1-(1-phenyl-2-pyrazolin-3-yl)-
SpectraBase Compound ID J73sbj7n1AD
InChI InChI=1S/C11H14N4S/c1-16-11(12)13-10-7-8-15(14-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,13,14)
InChIKey IJQHGSZAEBMKHZ-UHFFFAOYSA-N
Mol Weight 234.32 g/mol
Molecular Formula C11H14N4S
Exact Mass 234.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCz8gGbYsPF
Name Isothiourea, 2-methyl-1-(1-phenyl-2-pyrazolin-3-yl)-
Alternate Name(s) 2-Methyl-3-(1-phenyl-2-pyrazolin-3-yl)isothiourea 2-Methyl-3-(2-phenyl-3,4-dihydropyrazol-5-yl)isothiourea Methyl N'-(2-phenyl-3,4-dihydropyrazol-5-yl)carbamimidothioate Methyl N-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)imidothiocarbamate N'-(2-phenyl-3,4-dihydropyrazol-5-yl)carbamimidothioic acid methyl ester
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Formula C11H14N4S
InChI InChI=1S/C11H14N4S/c1-16-11(12)13-10-7-8-15(14-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,13,14)
InChIKey IJQHGSZAEBMKHZ-UHFFFAOYSA-N
Molecular Weight 234.321 g/mol
SMILES N(C=1CCN(N1)c1ccccc1)C(SC)=N
SPLASH splash10-0059-9720000000-1f53bd3e14c362fbfc89
Source of Spectrum AD-0-2532-0
Wiley ID 1424429