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5-pyrimidinecarboxylic acid, 1-acetyl-6-(1,3-benzodioxol-5-yl)-1,2,3,6-tetrahydro-4-methyl-2-oxo-, methyl ester
SpectraBase Compound ID 4ey0CKc76I0
InChI InChI=1S/C16H16N2O6/c1-8-13(15(20)22-3)14(18(9(2)19)16(21)17-8)10-4-5-11-12(6-10)24-7-23-11/h4-6,14H,7H2,1-3H3,(H,17,21)
InChIKey QNQNBSBTWIAYFI-UHFFFAOYSA-N
Mol Weight 332.31 g/mol
Molecular Formula C16H16N2O6
Exact Mass 332.100836 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EolIps15nPw
Name 5-pyrimidinecarboxylic acid, 1-acetyl-6-(1,3-benzodioxol-5-yl)-1,2,3,6-tetrahydro-4-methyl-2-oxo-, methyl 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/C16H16N2O6/c1-8-13(15(20)22-3)14(18(9(2)19)16(21)17-8)10-4-5-11-12(6-10)24-7-23-11/h4-6,14H,7H2,1-3H3,(H,17,21)
InChIKey QNQNBSBTWIAYFI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_3227
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: NMR/11248906