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2-chloro-4-{2,5-dimethyl-3-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID G97chdnRGyQ
InChI InChI=1S/C18H14ClN3O5/c1-8-5-10(6-13-15(23)20-18(27)21-16(13)24)9(2)22(8)11-3-4-12(17(25)26)14(19)7-11/h3-7H,1-2H3,(H,25,26)(H2,20,21,23,24,27)
InChIKey RMMPIRGNYXPNQL-UHFFFAOYSA-N
Mol Weight 387.78 g/mol
Molecular Formula C18H14ClN3O5
Exact Mass 387.062198 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8gBCFkJ7CVS
Name 2-chloro-4-{2,5-dimethyl-3-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
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/C18H14ClN3O5/c1-8-5-10(6-13-15(23)20-18(27)21-16(13)24)9(2)22(8)11-3-4-12(17(25)26)14(19)7-11/h3-7H,1-2H3,(H,25,26)(H2,20,21,23,24,27)
InChIKey RMMPIRGNYXPNQL-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10357
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: 1002395; UBI_ID: UBI-010360
Temperature 315 °C