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trans-7-p-Chlorophenyl-4-oxo-3-phenyl-7,8-dihydro-6H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazine-8-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

trans-7-p-Chlorophenyl-4-oxo-3-phenyl-7,8-dihydro-6H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazine-8-carboxylic acid ethyl ester
SpectraBase Compound ID HglpuMwSNiy
InChI InChI=1S/C20H17ClN4O3S/c1-2-28-19(27)17-15(13-8-10-14(21)11-9-13)24-25-18(26)16(22-23-20(25)29-17)12-6-4-3-5-7-12/h3-11,15,17,24H,2H2,1H3/t15-,17+/m1/s1
InChIKey HBZJCQXWRFDYFA-WBVHZDCISA-N
Mol Weight 428.89 g/mol
Molecular Formula C20H17ClN4O3S
Exact Mass 428.070989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BTPhNgxmoP
Name trans-7-p-Chlorophenyl-4-oxo-3-phenyl-7,8-dihydro-6H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazine-8-carboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClN4O3S
InChI InChI=1S/C20H17ClN4O3S/c1-2-28-19(27)17-15(13-8-10-14(21)11-9-13)24-25-18(26)16(22-23-20(25)29-17)12-6-4-3-5-7-12/h3-11,15,17,24H,2H2,1H3/t15-,17+/m1/s1
InChIKey HBZJCQXWRFDYFA-WBVHZDCISA-N
Molecular Weight 428.894 g/mol
SMILES N1[C@@]([C@](SC=2N1C(C(=NN2)c1ccccc1)=O)(C(=O)OCC)[H])(c1ccc(cc1)Cl)[H]
SPLASH splash10-004i-0000900000-71ae0dbc7f3a17bd7e0f
Source of Spectrum F-67-6268-8k
Wiley ID 1687565