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3-Methyl-5-[(benzoyl)amino]-1,3,4-thiadiazoline-2-methylimine
SpectraBase Compound ID ErIMVbr0KWt
InChI InChI=1S/C11H12N4OS/c1-15-9(7-12)17-11(14-15)13-10(16)8-5-3-2-4-6-8/h2-7,9,12H,1H3,(H,13,14,16)
InChIKey XNGFQRBZCVZYIK-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C11H12N4OS
Exact Mass 248.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtwK0c95Qlo
Name 3-Methyl-5-[(benzoyl)amino]-1,3,4-thiadiazoline-2-methylimine
Alternate Name(s) N-[5-(iminomethyl)-4-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C11H12N4OS
InChI InChI=1S/C11H12N4OS/c1-15-9(7-12)17-11(14-15)13-10(16)8-5-3-2-4-6-8/h2-7,9,12H,1H3,(H,13,14,16)
InChIKey XNGFQRBZCVZYIK-UHFFFAOYSA-N
Molecular Weight 248.304 g/mol
SMILES N=CC1SC(=NN1C)NC(=O)c1ccccc1
SPLASH splash10-052b-0790000000-bf01893e20d1da72152b
Source of Spectrum Y-32-279-8
Wiley ID 1250607