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3-Methoxycarbonylmethyl-5-(4-methoxyphenyl)-2-phenylimino-3,6-dihydro-2H-1,3,4-thiadiazinium bromide
SpectraBase Compound ID DZ4BKvv9FId
InChI InChI=1S/C19H19N3O3S.BrH/c1-24-16-10-8-14(9-11-16)17-13-26-19(20-15-6-4-3-5-7-15)22(21-17)12-18(23)25-2;/h3-11H,12-13H2,1-2H3;1H/b20-19+;
InChIKey RCMRMJJJGGAHLF-RZLHGTIFSA-N
Mol Weight 450.35 g/mol
Molecular Formula C19H20BrN3O3S
Exact Mass 449.040876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANf7LMkxeBI
Name 3-Methoxycarbonylmethyl-5-(4-methoxyphenyl)-2-phenylimino-3,6-dihydro-2H-1,3,4-thiadiazinium bromide
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Formula C19H20BrN3O3S
InChI InChI=1S/C19H19N3O3S.BrH/c1-24-16-10-8-14(9-11-16)17-13-26-19(20-15-6-4-3-5-7-15)22(21-17)12-18(23)25-2;/h3-11H,12-13H2,1-2H3;1H/b20-19+;
InChIKey RCMRMJJJGGAHLF-RZLHGTIFSA-N
Molecular Weight 450.351 g/mol
SMILES [Br-].[NH+]1(N=C(CS\C1=N/c1ccccc1)c1ccc(OC)cc1)CC(=O)OC
SPLASH splash10-001i-1900000000-a2ee715df2ce6511d5e3
Source of Spectrum SO-64-520-3
Synonyms (2E)-3-(2-methoxy-2-oxoethyl)-5-(4-methoxyphenyl)-2-(phenylimino)-3,6-dihydro-2H-1,3,4-thiadiazin-3-ium bromide
Wiley ID 1540741