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{2-bromo-6-methoxy-4-[(Z)-(1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
SpectraBase Compound ID EdOq7Z4OnRN
InChI InChI=1S/C21H17BrN2O8/c1-30-13-5-3-12(4-6-13)24-20(28)14(19(27)23-21(24)29)7-11-8-15(22)18(16(9-11)31-2)32-10-17(25)26/h3-9H,10H2,1-2H3,(H,25,26)(H,23,27,29)/b14-7-
InChIKey OOHOTHYBLCDOCW-AUWJEWJLSA-N
Mol Weight 505.28 g/mol
Molecular Formula C21H17BrN2O8
Exact Mass 504.016829 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3UOBmuMCjEa
Name {2-bromo-6-methoxy-4-[(Z)-(1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic 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/C21H17BrN2O8/c1-30-13-5-3-12(4-6-13)24-20(28)14(19(27)23-21(24)29)7-11-8-15(22)18(16(9-11)31-2)32-10-17(25)26/h3-9H,10H2,1-2H3,(H,25,26)(H,23,27,29)/b14-7-
InChIKey OOHOTHYBLCDOCW-AUWJEWJLSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9422
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: 133385; Labnumber: AREF2K-0764; VK_ID: VK-009426
Synonyms {2-bromo-6-methoxy-4-[(1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
Temperature 318 °C