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3-[2-(3,4,5-Trimethoxyphenyl)ethyl]-6-(4-chlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine

View entire compound with spectra: 2 MS (GC)

3-[2-(3,4,5-Trimethoxyphenyl)ethyl]-6-(4-chlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
SpectraBase Compound ID Fse7QweoEil
InChI InChI=1S/C21H21ClN4O3S/c1-27-17-10-13(11-18(28-2)20(17)29-3)4-9-19-23-24-21-26(19)25-16(12-30-21)14-5-7-15(22)8-6-14/h5-8,10-11H,4,9,12H2,1-3H3
InChIKey HAZMSQHYYLIEQB-UHFFFAOYSA-N
Mol Weight 444.94 g/mol
Molecular Formula C21H21ClN4O3S
Exact Mass 444.102289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6chgYQEZSxz
Name 3-[2-(3,4,5-Trimethoxyphenyl)ethyl]-6-(4-chlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN4O3S
InChI InChI=1S/C21H21ClN4O3S/c1-27-17-10-13(11-18(28-2)20(17)29-3)4-9-19-23-24-21-26(19)25-16(12-30-21)14-5-7-15(22)8-6-14/h5-8,10-11H,4,9,12H2,1-3H3
InChIKey HAZMSQHYYLIEQB-UHFFFAOYSA-N
Molecular Weight 444.937 g/mol
SMILES c12SCC(=N[n]2c(nn1)CCc1cc(c(c(c1)OC)OC)OC)c1ccc(cc1)Cl
SPLASH splash10-001i-0900300000-106c1a3f60a9be35e9bf
Source of Spectrum F2-44-4535-4b
Wiley ID 1715940