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4-tert-BUTYL-5-[(ETHOXYCARBONYL)-(4-PHENYLTHIAZOL-2-YL)-METHYLENE]-2-METHYL-2,5-DIHYDRO-1,2,3-THIADIAZOLE;ISOMER-A
SpectraBase Compound ID 2DjU6YKc74j
InChI InChI=1S/C20H23N3O2S2/c1-6-25-19(24)15(16-17(20(2,3)4)22-23(5)27-16)18-21-14(12-26-18)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3/b16-15-
InChIKey GRIFXUCCMSSQSF-NXVVXOECSA-N
Mol Weight 401.54 g/mol
Molecular Formula C20H23N3O2S2
Exact Mass 401.123169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AopNhn9CPBK
Name 4-t-Butyl-5-[(ethoxycarbonyl)(4-phenylthiazol-2-yl)methylene]-2-methyl-2,5-dihydro-1,2,3-thiadiazole
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Formula C20H23N3O2S2
InChI InChI=1S/C20H23N3O2S2/c1-6-25-19(24)15(16-17(20(2,3)4)22-23(5)27-16)18-21-14(12-26-18)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3/b16-15-
InChIKey GRIFXUCCMSSQSF-NXVVXOECSA-N
Molecular Weight 401.543 g/mol
SMILES c1(\C(=C/2C(=NN(S2)C)C(C)(C)C)C(=O)OCC)nc(-c2ccccc2)cs1
SPLASH splash10-0ufu-6566900000-9777f6a62b30cd2c0c7a
Source of Spectrum KC-0-2550-30
Synonyms Ethyl (2E)-(4-tert-butyl-2-methyl-1,2,3-thiadiazol-5(2H)-ylidene)(4-phenyl-1,3-thiazol-2-yl)ethanoate
Wiley ID 782150