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(RAC)-3-CHLORO-ALPHA-HYDROXY-4,5-DI-(PHENYLMETHOXY)-BENZENE-ACETONITRILE
SpectraBase Compound ID IgeRhv1tgvu
InChI InChI=1S/C22H18ClNO3/c23-19-11-18(20(25)13-24)12-21(26-14-16-7-3-1-4-8-16)22(19)27-15-17-9-5-2-6-10-17/h1-12,20,25H,14-15H2/t20-/m1/s1
InChIKey GWNKMWSCSMQZDX-HXUWFJFHSA-N
Mol Weight 379.84 g/mol
Molecular Formula C22H18ClNO3
Exact Mass 379.097521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jWGgcTTR8K
Name (RAC)-3-CHLORO-ALPHA-HYDROXY-4,5-DI-(PHENYLMETHOXY)-BENZENE-ACETONITRILE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClNO3
InChI InChI=1S/C22H18ClNO3/c23-19-11-18(20(25)13-24)12-21(26-14-16-7-3-1-4-8-16)22(19)27-15-17-9-5-2-6-10-17/h1-12,20,25H,14-15H2/t20-/m1/s1
InChIKey GWNKMWSCSMQZDX-HXUWFJFHSA-N
Literature Reference Author M.KNOLLMUELLER,P.GAERTNER,J.PERNERSTORFER,P.POJARLIEV,H.B.ST EGMANN
Literature Reference Citation MH.CHEM.,130,451(1999)
Literature Reference DOI 10.1007/s007060050204
Molecular Weight 379.843 g/mol
Solvent DMSO-D6
Source File Reference UWMP729