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2-[.alpha.-(N(2)-Phenylhydrazino)benzyl]-5-phenyl-3,1,5-thiadiazole
SpectraBase Compound ID HcyHQzOKm9B
InChI InChI=1S/C21H16N4S/c1-4-10-16(11-5-1)19(24-23-18-14-8-3-9-15-18)21-22-20(25-26-21)17-12-6-2-7-13-17/h1-15,23H/b24-19-
InChIKey KRJKCZWCYDJFIR-CLCOLTQESA-N
Mol Weight 356.45 g/mol
Molecular Formula C21H16N4S
Exact Mass 356.109568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5D8J0W3G2yJ
Name 2-[.alpha.-(N(2)-Phenylhydrazino)benzyl]-5-phenyl-3,1,5-thiadiazole
Comments Computed using HOSE algorithm
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Exact Mass 356.109567705 u
Formula C21H16N4S
InChI InChI=1S/C21H16N4S/c1-4-10-16(11-5-1)19(24-23-18-14-8-3-9-15-18)21-22-20(25-26-21)17-12-6-2-7-13-17/h1-15,23H/b24-19-
InChIKey KRJKCZWCYDJFIR-CLCOLTQESA-N
Molecular Weight 356.447 g/mol
SMILES C1(=NC(C=2C=CC=CC2)=NS1)\C(=N/NC1=CC=CC=C1)C1=CC=CC=C1