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(2Z)-2-[3,3-dicyano-2-(4-methoxyphenyl)prop-2-enylidene]-5-methylene-3-thiazolidinecarboxylic acid tert-butyl ester
SpectraBase Compound ID KTrudbNJ7jW
InChI InChI=1S/C21H21N3O3S/c1-14-13-24(20(25)27-21(2,3)4)19(28-14)10-18(16(11-22)12-23)15-6-8-17(26-5)9-7-15/h6-10H,1,13H2,2-5H3/b19-10-
InChIKey AKIBZSULNKSHBW-GRSHGNNSSA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6K8sC5xY4Lu
Name (2Z)-2-[3,3-dicyano-2-(4-methoxyphenyl)prop-2-enylidene]-5-methylene-3-thiazolidinecarboxylic acid tert-butyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C21H21N3O3S
InChI InChI=1S/C21H21N3O3S/c1-14-13-24(20(25)27-21(2,3)4)19(28-14)10-18(16(11-22)12-23)15-6-8-17(26-5)9-7-15/h6-10H,1,13H2,2-5H3/b19-10-
InChIKey AKIBZSULNKSHBW-GRSHGNNSSA-N
Molecular Weight 395.477 g/mol
SMILES C(\C=C\1N(CC(S1)=C)C(OC(C)(C)C)=O)(=C(C#N)C#N)c1ccc(cc1)OC
SPLASH splash10-0002-0090000000-83bae2e71e776ddd7f30
Source of Spectrum Y-33-1794-8
Synonyms (2Z)-2-[3,3-dicyano-2-(4-methoxyphenyl)prop-2-enylidene]-5-methylene-thiazolidine-3-carboxylic acid tert-butyl ester tert-butyl (2Z)-2-[3,3-dicyano-2-(4-methoxyphenyl)prop-2-enylidene]-5-methylene-thiazolidine-3-carboxylate tert-butyl (2Z)-2-[3,3-dicyano-2-(4-methoxyphenyl)prop-2-enylidene]-5-methylidene-1,3-thiazolidine-3-carboxylate
Wiley ID 1367027