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trans-7-Ethoxycarbonyl-3-p-chlorophenyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 36OAlBhLAea
InChI InChI=1S/C19H17ClN4O2S/c1-2-26-18(25)16-15(12-6-4-3-5-7-12)23-24-17(21-22-19(24)27-16)13-8-10-14(20)11-9-13/h3-11,15-16,23H,2H2,1H3/t15-,16+/m1/s1
InChIKey GGUPNSMCDUGXFJ-CVEARBPZSA-N
Mol Weight 400.88 g/mol
Molecular Formula C19H17ClN4O2S
Exact Mass 400.076075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgBRn5kT47I
Name trans-7-Ethoxycarbonyl-3-p-chlorophenyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Comments Less than 3 mono-isotopic peaks
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Formula C19H17ClN4O2S
InChI InChI=1S/C19H17ClN4O2S/c1-2-26-18(25)16-15(12-6-4-3-5-7-12)23-24-17(21-22-19(24)27-16)13-8-10-14(20)11-9-13/h3-11,15-16,23H,2H2,1H3/t15-,16+/m1/s1
InChIKey GGUPNSMCDUGXFJ-CVEARBPZSA-N
Molecular Weight 400.884 g/mol
SMILES N1[C@@]([C@](Sc2[n]1c(nn2)-c1ccc(cc1)Cl)(C(=O)OCC)[H])(c1ccccc1)[H]
SPLASH splash10-0udi-0000900000-328d771c40303faf5eed
Source of Spectrum F-67-6264-4g
Wiley ID 1687568