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(2Z)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID Dazm0WpSgLw
InChI InChI=1S/C20H20BrN3O2S/c1-20(2,3)26-19(25)24-9-4-10-27-18(24)11-17(15(12-22)13-23)14-5-7-16(21)8-6-14/h5-8,11H,4,9-10H2,1-3H3/b18-11-
InChIKey CQTKTQSENUWBEH-WQRHYEAKSA-N
Mol Weight 446.36 g/mol
Molecular Formula C20H20BrN3O2S
Exact Mass 445.045961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GChkXC4MqD2
Name (2Z)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester
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Formula C20H20BrN3O2S
InChI InChI=1S/C20H20BrN3O2S/c1-20(2,3)26-19(25)24-9-4-10-27-18(24)11-17(15(12-22)13-23)14-5-7-16(21)8-6-14/h5-8,11H,4,9-10H2,1-3H3/b18-11-
InChIKey CQTKTQSENUWBEH-WQRHYEAKSA-N
Molecular Weight 446.363 g/mol
SMILES C(\C=C\1N(CCCS1)C(OC(C)(C)C)=O)(=C(C#N)C#N)c1ccc(cc1)Br
SPLASH splash10-0002-0009000000-f4638cec997acee1f116
Source of Spectrum Y-33-1793-5
Synonyms tert-Butyl (2Z)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-1,3-thiazinane-3-carboxylate (2Z)-2-[2-(4-bromophenyl)-3,3-dicyanoprop-2-enylidene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester
Wiley ID 1386303