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t-Butyl 2-[2',2'-dicyano-1'-(3''-trifluoromethylphenyl)vinylimino]-3,4,5,6-tetrahydro-1,3-thiazine-3-carboxylate
SpectraBase Compound ID 7tKRGCfoT4u
InChI InChI=1S/C20H19F3N4O2S/c1-19(2,3)29-18(28)27-8-5-9-30-17(27)26-16(14(11-24)12-25)13-6-4-7-15(10-13)20(21,22)23/h4,6-7,10H,5,8-9H2,1-3H3/b26-17-
InChIKey NUIZZXMLVKVLGA-ONUIUJJFSA-N
Mol Weight 436.45 g/mol
Molecular Formula C20H19F3N4O2S
Exact Mass 436.118082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2NVzHk1Wtn
Name t-Butyl 2-[2',2'-dicyano-1'-(3''-trifluoromethylphenyl)vinylimino]-3,4,5,6-tetrahydro-1,3-thiazine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19F3N4O2S
InChI InChI=1S/C20H19F3N4O2S/c1-19(2,3)29-18(28)27-8-5-9-30-17(27)26-16(14(11-24)12-25)13-6-4-7-15(10-13)20(21,22)23/h4,6-7,10H,5,8-9H2,1-3H3/b26-17-
InChIKey NUIZZXMLVKVLGA-ONUIUJJFSA-N
Molecular Weight 436.453 g/mol
SMILES C(\N=C\1N(CCCS1)C(OC(C)(C)C)=O)(=C(C#N)C#N)c1cc(C(F)(F)F)ccc1
SPLASH splash10-000i-0009000000-135fb736bbff666b9893
Source of Spectrum Y-33-1904-5
Synonyms t-Butyl 2-[2',2'-dicyano-1'-(3''-trifluoromethylphenyl)vinylimino]-3,4,5,6-tetrahydro-1,3-thiazine-3-carboxylate tert-Butyl (2Z)-2-({(Z)-2,2-dicyano-1-[3-(trifluoromethyl)phenyl]ethenyl}imino)dihydro-2H-1,3-thiazine-3(4H)-carboxylate
Wiley ID 1383398