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5-pyrimidinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester

View entire compound with spectra: 1 NMR

5-pyrimidinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester
SpectraBase Compound ID LixbqG2Xmzd
InChI InChI=1S/C21H17BrN2O7/c1-10-18(20(25)27-7-11-2-3-14-15(4-11)29-8-28-14)19(24-21(26)23-10)12-5-16-17(6-13(12)22)31-9-30-16/h2-6,19H,7-9H2,1H3,(H2,23,24,26)
InChIKey AFQWDGMHCDPGLA-UHFFFAOYSA-N
Mol Weight 489.28 g/mol
Molecular Formula C21H17BrN2O7
Exact Mass 488.021914 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KezdUV2x0Z
Name 5-pyrimidinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl 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/C21H17BrN2O7/c1-10-18(20(25)27-7-11-2-3-14-15(4-11)29-8-28-14)19(24-21(26)23-10)12-5-16-17(6-13(12)22)31-9-30-16/h2-6,19H,7-9H2,1H3,(H2,23,24,26)
InChIKey AFQWDGMHCDPGLA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_492
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/11258275