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(1-S,2-S)-(2-BENZYLOXY-3-HYDROXY-1-HYDROXYMETHYL-1-TRIFLUOROMETHYLPROPYL)-CARBAMIC-ACID-BENZYLESTER
SpectraBase Compound ID 1gqvJp0BDaK
InChI InChI=1S/C20H22F3NO5/c21-20(22,23)19(14-26,17(11-25)28-12-15-7-3-1-4-8-15)24-18(27)29-13-16-9-5-2-6-10-16/h1-10,17,25-26H,11-14H2,(H,24,27)/t17-,19+/m1/s1
InChIKey HSDBFZXWVQYYFS-MJGOQNOKSA-N
Mol Weight 413.39 g/mol
Molecular Formula C20H22F3NO5
Exact Mass 413.145007 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1aNXogsOzwX
Name (1-S,2-S)-(2-BENZYLOXY-3-HYDROXY-1-HYDROXYMETHYL-1-TRIFLUOROMETHYLPROPYL)-CARBAMIC-ACID-BENZYLESTER
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22F3NO5
InChI InChI=1S/C20H22F3NO5/c21-20(22,23)19(14-26,17(11-25)28-12-15-7-3-1-4-8-15)24-18(27)29-13-16-9-5-2-6-10-16/h1-10,17,25-26H,11-14H2,(H,24,27)/t17-,19+/m1/s1
InChIKey HSDBFZXWVQYYFS-MJGOQNOKSA-N
Literature Reference Author P.BRAVO,S.FUSTERO,M.GUIDETTI,A.VOLONTERIO,M.ZANDA
Literature Reference Citation J.ORG.CHEM.,64,8731(1999)
Literature Reference DOI 10.1021/jo9909397
Solvent CDCl3
Source File Reference UWSI41455