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Ethyl 2-[(4-tert-butylbenzoyl)(cyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SpectraBase Compound ID DiN6qpSzJaS
InChI InChI=1S/C23H30N2O3S/c1-6-28-21(27)19-15(2)24-22(29-19)25(18-9-7-8-10-18)20(26)16-11-13-17(14-12-16)23(3,4)5/h11-14,18H,6-10H2,1-5H3
InChIKey KQDJJEPTJXZRGP-UHFFFAOYSA-N
Mol Weight 414.56 g/mol
Molecular Formula C23H30N2O3S
Exact Mass 414.197714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZqLNX82UZS
Name Ethyl 2-[(4-tert-butylbenzoyl)(cyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 414.197714005 u
Formula C23H30N2O3S
InChI InChI=1S/C23H30N2O3S/c1-6-28-21(27)19-15(2)24-22(29-19)25(18-9-7-8-10-18)20(26)16-11-13-17(14-12-16)23(3,4)5/h11-14,18H,6-10H2,1-5H3
InChIKey KQDJJEPTJXZRGP-UHFFFAOYSA-N
Molecular Weight 414.564 g/mol
SMILES C=1(SC(C(=O)OCC)=C(N1)C)N(C(C=1C=CC(C(C)(C)C)=CC1)=O)C1CCCC1