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5-pyrimidinecarboxylic acid, 4-(4-chlorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester
SpectraBase Compound ID CMVcekhTxOT
InChI InChI=1S/C20H17ClN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,18H,9-10H2,1H3,(H2,22,23,25)
InChIKey BQJXSNRAUHEWIW-UHFFFAOYSA-N
Mol Weight 400.82 g/mol
Molecular Formula C20H17ClN2O5
Exact Mass 400.082599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1xW4T5J4in3
Name 5-pyrimidinecarboxylic acid, 4-(4-chlorophenyl)-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/C20H17ClN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,18H,9-10H2,1H3,(H2,22,23,25)
InChIKey BQJXSNRAUHEWIW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_335
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/11258036