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(6R*,7R*)-6-ACETYL-3-(4-CHLOROPHENYL)-7-ETHYL-2-OXO-2,3,4,5,6,7-HEXAHYDROBENZOXAZOL-6-YL-4-NITROBENZOATE
SpectraBase Compound ID H5VrKkAgvOg
InChI InChI=1S/C24H21ClN2O7/c1-3-19-21-20(26(23(30)33-21)17-10-6-16(25)7-11-17)12-13-24(19,14(2)28)34-22(29)15-4-8-18(9-5-15)27(31)32/h4-11,19H,3,12-13H2,1-2H3/t19-,24+/m0/s1
InChIKey ZQGBZABJHGXJSK-YADARESESA-N
Mol Weight 484.89 g/mol
Molecular Formula C24H21ClN2O7
Exact Mass 484.103729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGjgDCauRBh
Name (6R*,7R*)-6-ACETYL-3-(4-CHLOROPHENYL)-7-ETHYL-2-OXO-2,3,4,5,6,7-HEXAHYDROBENZOXAZOL-6-YL-4-NITROBENZOATE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H21ClN2O7
InChI InChI=1S/C24H21ClN2O7/c1-3-19-21-20(26(23(30)33-21)17-10-6-16(25)7-11-17)12-13-24(19,14(2)28)34-22(29)15-4-8-18(9-5-15)27(31)32/h4-11,19H,3,12-13H2,1-2H3/t19-,24+/m0/s1
InChIKey ZQGBZABJHGXJSK-YADARESESA-N
Literature Reference Author A.FUENTES,R.MARTINEZ-PALOU,H.A.JIMENEZ-VAZQUEZ,F.DELGADO,A.R EYES,J.TAMARIZ
Literature Reference Citation MH.CHEM.,136,177(2005)
Literature Reference DOI 10.1007/s00706-004-0244-0
Molecular Weight 484.893 g/mol
Solvent CDCl3
Source File Reference UWSI23631