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Methanone, (4-chlorophenyl)[6,7-dihydro-6-(4-methoxyphenyl)-3-methyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-
SpectraBase Compound ID BfvjBwvjft2
InChI InChI=1S/C19H17ClN4O2S/c1-11-21-22-19-24(11)23-16(12-5-9-15(26-2)10-6-12)18(27-19)17(25)13-3-7-14(20)8-4-13/h3-10,16,18,23H,1-2H3
InChIKey QMKYMLTVMZHXCH-UHFFFAOYSA-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 jYuq8X8HiX
Name Methanone, (4-chlorophenyl)[6,7-dihydro-6-(4-methoxyphenyl)-3-methyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-
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Formula C19H17ClN4O2S
InChI InChI=1S/C19H17ClN4O2S/c1-11-21-22-19-24(11)23-16(12-5-9-15(26-2)10-6-12)18(27-19)17(25)13-3-7-14(20)8-4-13/h3-10,16,18,23H,1-2H3
InChIKey QMKYMLTVMZHXCH-UHFFFAOYSA-N
Molecular Weight 400.884 g/mol
SMILES N1C(C(Sc2[n]1c(nn2)C)C(c1ccc(cc1)Cl)=O)c1ccc(cc1)OC
SPLASH splash10-01s9-4920000000-c0bbe752cae22961f76d
Source of Spectrum IY-1-4576-5
Wiley ID 1653748