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(+)-(Z)-[(4S)-4-BENZYL-2-OXO-1,3-OXAZOLAN-3-ILO]-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-2-BUTEN-1-ONA
SpectraBase Compound ID BWIuq8tjngU
InChI InChI=1S/C21H19F3N2O4/c1-29-17-9-7-15(8-10-17)25-18(21(22,23)24)12-19(27)26-16(13-30-20(26)28)11-14-5-3-2-4-6-14/h2-10,12,16,25H,11,13H2,1H3/b18-12-/t16-/m0/s1
InChIKey OJZOFXRMEJJMQF-JIHKLPAASA-N
Mol Weight 420.39 g/mol
Molecular Formula C21H19F3N2O4
Exact Mass 420.129692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcioFoUGMlw
Name (+)-(Z)-[(4S)-4-BENZYL-2-OXO-1,3-OXAZOLAN-3-ILO]-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-2-BUTEN-1-ONA
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19F3N2O4
InChI InChI=1S/C21H19F3N2O4/c1-29-17-9-7-15(8-10-17)25-18(21(22,23)24)12-19(27)26-16(13-30-20(26)28)11-14-5-3-2-4-6-14/h2-10,12,16,25H,11,13H2,1H3/b18-12-/t16-/m0/s1
InChIKey OJZOFXRMEJJMQF-JIHKLPAASA-N
Literature Reference Author S.FUSTERO,B.PINA,E.SALAVERT,A.NAVARRO,M.C.R.D.ARELLANO,A.S.F UENTES
Literature Reference Citation J.ORG.CHEM.,67,4667(2002)
Literature Reference DOI 10.1021/jo025621k
Molecular Weight 420.388 g/mol
Solvent CDCl3
Source File Reference UWVN23343