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3-Butyl-6-(4-chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, hydrobromide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Butyl-6-(4-chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, hydrobromide
SpectraBase Compound ID 3pkmUU2aqMW
InChI InChI=1S/C14H15ClN4S.BrH/c1-2-3-4-13-16-17-14-19(13)18-12(9-20-14)10-5-7-11(15)8-6-10;/h5-8H,2-4,9H2,1H3;1H
InChIKey OLAKQKFXLIGPOG-UHFFFAOYSA-N
Mol Weight 387.73 g/mol
Molecular Formula C14H16BrClN4S
Exact Mass 385.996758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RXjSMhABuW
Name 3-Butyl-6-(4-chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, hydrobromide
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Formula C14H16BrClN4S
InChI InChI=1S/C14H15ClN4S.BrH/c1-2-3-4-13-16-17-14-19(13)18-12(9-20-14)10-5-7-11(15)8-6-10;/h5-8H,2-4,9H2,1H3;1H
InChIKey OLAKQKFXLIGPOG-UHFFFAOYSA-N
Molecular Weight 387.727 g/mol
SMILES Br.CCCCc1[n]2N=C(c3ccc(cc3)Cl)CSc2nn1
SPLASH splash10-01tc-9720000000-1e4342a500b17c4ca30d
Wiley ID 1452806