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(S)-1-[2-[(methyl-oxo-phenyl-.lambda.6-sulfanylidene)amino]phenyl]-3-phenyl-thiourea
SpectraBase Compound ID Jy6jIbJHGx8
InChI InChI=1S/C20H19N3OS2/c1-26(24,17-12-6-3-7-13-17)23-19-15-9-8-14-18(19)22-20(25)21-16-10-4-2-5-11-16/h2-15H,1H3,(H2,21,22,25)/t26-/m0/s1
InChIKey CLPUOENHXLSDII-SANMLTNESA-N
Mol Weight 381.51 g/mol
Molecular Formula C20H19N3OS2
Exact Mass 381.096955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rM61H6PFkO
Name (S)-1-[2-[(methyl-oxo-phenyl-.lambda.6-sulfanylidene)amino]phenyl]-3-phenyl-thiourea
Appearance Beige solid
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Formula C20H19N3OS2
InChI InChI=1S/C20H19N3OS2/c1-26(24,17-12-6-3-7-13-17)23-19-15-9-8-14-18(19)22-20(25)21-16-10-4-2-5-11-16/h2-15H,1H3,(H2,21,22,25)/t26-/m0/s1
InChIKey CLPUOENHXLSDII-SANMLTNESA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.164
Molecular Weight 381.512 g/mol
Optical Rotation [a]D = -121.4 (c = 0.7, CHCl3)
Reported Formula C20H20N3OS2
SMILES N(c1ccccc1N=[S@](c1ccccc1)(=O)C)C(Nc1ccccc1)=S
SPLASH splash10-0552-3970000000-7acdb1b9690df6ff3ae2
Source of Spectrum BJO-8-SM4-S-13
Wiley ID 1864995