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(2E)-2-[cyano-(2-cyanophenyl)methylene]thiazolidine-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID JlZdHIrQixL
InChI InChI=1S/C17H17N3O2S/c1-17(2,3)22-16(21)20-8-9-23-15(20)14(11-19)13-7-5-4-6-12(13)10-18/h4-7H,8-9H2,1-3H3/b15-14-
InChIKey WBOBXAJQXJJMQO-PFONDFGASA-N
Mol Weight 327.4 g/mol
Molecular Formula C17H17N3O2S
Exact Mass 327.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31oWXsrxwHb
Name (2E)-2-[cyano-(2-cyanophenyl)methylene]thiazolidine-3-carboxylic acid tert-butyl ester
Alternate Name(s) (2E)-2-[cyano-(2-cyanophenyl)methylidene]-3-thiazolidinecarboxylic acid tert-butyl ester tert-butyl (2E)-2-[cyano-(2-cyanophenyl)methylene]thiazolidine-3-carboxylate tert-butyl (2E)-2-[cyano-(2-cyanophenyl)methylidene]-1,3-thiazolidine-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H17N3O2S
InChI InChI=1S/C17H17N3O2S/c1-17(2,3)22-16(21)20-8-9-23-15(20)14(11-19)13-7-5-4-6-12(13)10-18/h4-7H,8-9H2,1-3H3/b15-14-
InChIKey WBOBXAJQXJJMQO-PFONDFGASA-N
Molecular Weight 327.402 g/mol
SMILES C(N1\C(SCC1)=C\(c1c(C#N)cccc1)C#N)(OC(C)(C)C)=O
SPLASH splash10-004i-0090000000-5ae38af5697e838245c9
Source of Spectrum Y-33-1789-22
Wiley ID 1325464