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ETHYL-1-BENZYL-5-HYDROXY-3-[N-(4-METHOXYPHENYL)-CARBAMOYL]-1H-PYRAZOLE-4-CARBOXYLATE
SpectraBase Compound ID LUR2QTPBOyK
InChI InChI=1S/C21H21N3O5/c1-3-29-21(27)17-18(19(25)22-15-9-11-16(28-2)12-10-15)23-24(20(17)26)13-14-7-5-4-6-8-14/h4-12,26H,3,13H2,1-2H3,(H,22,25)
InChIKey CAQYNCOBLDWOGZ-UHFFFAOYSA-N
Mol Weight 395.42 g/mol
Molecular Formula C21H21N3O5
Exact Mass 395.148121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FeTZzqKAc4y
Name ETHYL-1-BENZYL-5-HYDROXY-3-[N-(4-METHOXYPHENYL)-CARBAMOYL]-1H-PYRAZOLE-4-CARBOXYLATE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21N3O5
InChI InChI=1S/C21H21N3O5/c1-3-29-21(27)17-18(19(25)22-15-9-11-16(28-2)12-10-15)23-24(20(17)26)13-14-7-5-4-6-8-14/h4-12,26H,3,13H2,1-2H3,(H,22,25)
InChIKey CAQYNCOBLDWOGZ-UHFFFAOYSA-N
Literature Reference Author S.GUERTLER,M.JOHNER,S.RUF,H.H.OTTO
Literature Reference Citation HELV.CHIM.ACTA,76,2958(1993)
Literature Reference DOI 10.1002/hlca.19930760820
Molecular Weight 395.415 g/mol
Solvent CDCl3
Source File Reference UWCS21117