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2,2,3,3,3-Pentafluoropropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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2,2,3,3,3-Pentafluoropropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID GqDTV4lpZAn
InChI InChI=1S/C16H13F5N2O5/c1-7-11(13(24)26-5-15(17,18)16(19,20)21)12(23-14(25)22-7)8-2-3-9-10(4-8)28-6-27-9/h2-4,12H,5-6H2,1H3,(H2,22,23,25)
InChIKey RSYVPPHQGVOZLG-UHFFFAOYSA-N
Mol Weight 408.28 g/mol
Molecular Formula C16H13F5N2O5
Exact Mass 408.074462 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HI2bJs4Jn8L
Name 5-pyrimidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2,2,3,3,3-pentafluoropropyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H13F5N2O5/c1-7-11(13(24)26-5-15(17,18)16(19,20)21)12(23-14(25)22-7)8-2-3-9-10(4-8)28-6-27-9/h2-4,12H,5-6H2,1H3,(H2,22,23,25)
InChIKey RSYVPPHQGVOZLG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_5512
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/6013625; Labnumber: SMM-756; IOH_ID: IOH-012515