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3-PHENYL-(5R)-(ORTHO-CHLOROPHENYL)-(6T)-CARBETHOXYCYCLOHEX-2-ENONE
SpectraBase Compound ID AhZkyKzG7cm
InChI InChI=1S/C21H19ClO3/c1-2-25-21(24)20-17(16-10-6-7-11-18(16)22)12-15(13-19(20)23)14-8-4-3-5-9-14/h3-11,13,17,20H,2,12H2,1H3/t17-,20-/m1/s1
InChIKey SHATWOCAAMFWJJ-YLJYHZDGSA-N
Mol Weight 354.83 g/mol
Molecular Formula C21H19ClO3
Exact Mass 354.102272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7p4qpylIeyV
Name 3-PHENYL-(5R)-(ORTHO-CHLOROPHENYL)-(6T)-CARBETHOXYCYCLOHEX-2-ENONE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19ClO3
InChI InChI=1S/C21H19ClO3/c1-2-25-21(24)20-17(16-10-6-7-11-18(16)22)12-15(13-19(20)23)14-8-4-3-5-9-14/h3-11,13,17,20H,2,12H2,1H3/t17-,20-/m1/s1
InChIKey SHATWOCAAMFWJJ-YLJYHZDGSA-N
Literature Reference Author C.YUVARAJ,K.PANDIARAJAN
Literature Reference Citation MAGN.RES.CHEM.,49,253(2011)
Literature Reference DOI 10.1002/mrc.2724
Molecular Weight 354.833 g/mol
Solvent CDCl3
Source File Reference UWBT12870