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Diethyl 3-(tert-butyl)-2-(4-methylphenyl)imino-1,3-thiazolane-4,5-dicarboxylate
SpectraBase Compound ID IlzBGTjm0Kb
InChI InChI=1S/C20H28N2O4S/c1-7-25-17(23)15-16(18(24)26-8-2)27-19(22(15)20(4,5)6)21-14-11-9-13(3)10-12-14/h9-12,15-16H,7-8H2,1-6H3
InChIKey NJQLPCULIIHGOI-UHFFFAOYSA-N
Mol Weight 392.51 g/mol
Molecular Formula C20H28N2O4S
Exact Mass 392.176979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1u9XIP9cgBK
Name Diethyl 3-(tert-butyl)-2-(4-methylphenyl)imino-1,3-thiazolane-4,5-dicarboxylate
Appearance Yellow powder
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Formula C20H28N2O4S
InChI InChI=1S/C20H28N2O4S/c1-7-25-17(23)15-16(18(24)26-8-2)27-19(22(15)20(4,5)6)21-14-11-9-13(3)10-12-14/h9-12,15-16H,7-8H2,1-6H3
InChIKey NJQLPCULIIHGOI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2789
Molecular Weight 392.514 g/mol
SMILES C(OC(=O)C1N(C(SC1C(=O)OCC)=Nc1ccc(cc1)C)C(C)(C)C)C
SPLASH splash10-002g-9005000000-cc4cfeb45f0e85f74193
Source of Spectrum Y-54-1940-4d
Wiley ID 1878356