John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Ee4fSWUwaiA SpectraBase Spectrum ID=1kEYdc7TDKX

(accessed ).
4-NITROBENZOIC-ACID-(1R*)-1-(4-CHLOROPHENYL)-1-[(1S*)-CYCLOHEX-2-ENYL]-ETHYLETHER
SpectraBase Compound ID Ee4fSWUwaiA
InChI InChI=1S/C21H20ClNO4/c1-21(16-5-3-2-4-6-16,17-9-11-18(22)12-10-17)27-20(24)15-7-13-19(14-8-15)23(25)26/h3,5,7-14,16H,2,4,6H2,1H3/t16-,21-/m0/s1
InChIKey ZFQIAZUFKDQZKU-KKSFZXQISA-N
Mol Weight 385.85 g/mol
Molecular Formula C21H20ClNO4
Exact Mass 385.108086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kEYdc7TDKX
Name 4-NITROBENZOIC-ACID-(1R*)-1-(4-CHLOROPHENYL)-1-[(1S*)-CYCLOHEX-2-ENYL]-ETHYLETHER
Compound Number 6BE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20ClNO4
InChI InChI=1S/C21H20ClNO4/c1-21(16-5-3-2-4-6-16,17-9-11-18(22)12-10-17)27-20(24)15-7-13-19(14-8-15)23(25)26/h3,5,7-14,16H,2,4,6H2,1H3/t16-,21-/m0/s1
InChIKey ZFQIAZUFKDQZKU-KKSFZXQISA-N
Literature Reference Author M.YASUDA,K.HIRATA,M.NISHINO,A.YAMAMOTO,A.BABA
Literature Reference Citation J.AM.CHEM.SOC.,124,13442(2002)
Literature Reference DOI 10.1021/ja0274047
Molecular Weight 385.847 g/mol
Sample ID 48449
Solvent CDCl3
SpectraBase Batch ID Cgo89Flnuag