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BENZYL-(2S)-2-BENZYLOXYCARBONYLAMINO-3-(5-HYDROXY-1-PHENYLPYRAZOL-4-YL)-PROPIONATE
SpectraBase Compound ID JV0oaYuypTa
InChI InChI=1S/C27H25N3O5/c31-25-22(17-28-30(25)23-14-8-3-9-15-23)16-24(26(32)34-18-20-10-4-1-5-11-20)29-27(33)35-19-21-12-6-2-7-13-21/h1-15,17,24,31H,16,18-19H2,(H,29,33)/t24-/m1/s1
InChIKey RVMODKRLHVHGCH-XMMPIXPASA-N
Mol Weight 471.51 g/mol
Molecular Formula C27H25N3O5
Exact Mass 471.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8U8JIujlWkc
Name BENZYL-(2S)-2-BENZYLOXYCARBONYLAMINO-3-(5-HYDROXY-1-PHENYLPYRAZOL-4-YL)-PROPIONATE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H25N3O5
InChI InChI=1S/C27H25N3O5/c31-25-22(17-28-30(25)23-14-8-3-9-15-23)16-24(26(32)34-18-20-10-4-1-5-11-20)29-27(33)35-19-21-12-6-2-7-13-21/h1-15,17,24,31H,16,18-19H2,(H,29,33)/t24-/m1/s1
InChIKey RVMODKRLHVHGCH-XMMPIXPASA-N
Literature Reference Author A.N.BOWLER,A.DINSMORE,P.M.DOYLE,D.W.YOUNG
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1297(1997)
Literature Reference DOI 10.1039/a608067g
Molecular Weight 471.513 g/mol
Solvent DMSO-D6