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trans-8-Benzoyl-7-p-chlorophenyl-3-phenyl-7,8-dihydro-6H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
SpectraBase Compound ID HcoO6Nztenn
InChI InChI=1S/C24H17ClN4O2S/c25-18-13-11-16(12-14-18)19-22(21(30)17-9-5-2-6-10-17)32-24-27-26-20(23(31)29(24)28-19)15-7-3-1-4-8-15/h1-14,19,22,28H/t19-,22+/m1/s1
InChIKey YXBGBBVJPPJXTQ-KNQAVFIVSA-N
Mol Weight 460.94 g/mol
Molecular Formula C24H17ClN4O2S
Exact Mass 460.076075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2AT6MyHEAZ
Name trans-8-Benzoyl-7-p-chlorophenyl-3-phenyl-7,8-dihydro-6H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C24H17ClN4O2S
InChI InChI=1S/C24H17ClN4O2S/c25-18-13-11-16(12-14-18)19-22(21(30)17-9-5-2-6-10-17)32-24-27-26-20(23(31)29(24)28-19)15-7-3-1-4-8-15/h1-14,19,22,28H/t19-,22+/m1/s1
InChIKey YXBGBBVJPPJXTQ-KNQAVFIVSA-N
Molecular Weight 460.939 g/mol
SMILES N1[C@@]([C@](SC=2N1C(C(=NN2)c1ccccc1)=O)(C(=O)c1ccccc1)[H])(c1ccc(cc1)Cl)[H]
SPLASH splash10-03di-0000900000-2e1884ec59456e9e997a
Source of Spectrum F-67-6268-8g
Wiley ID 1687566