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3-{[(1Z)-1-(1-benzyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)ethyl]amino}benzoic acid
SpectraBase Compound ID 2D3jjmrI3nv
InChI InChI=1S/C20H17N3O5/c1-12(21-15-9-5-8-14(10-15)19(26)27)16-17(24)22-20(28)23(18(16)25)11-13-6-3-2-4-7-13/h2-10,21H,11H2,1H3,(H,26,27)(H,22,24,28)/b16-12-
InChIKey APBBMDIZXVRQEN-VBKFSLOCSA-N
Mol Weight 379.37 g/mol
Molecular Formula C20H17N3O5
Exact Mass 379.116821 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C1k9D17AniI
Name 3-{[(1Z)-1-(1-benzyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)ethyl]amino}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/C20H17N3O5/c1-12(21-15-9-5-8-14(10-15)19(26)27)16-17(24)22-20(28)23(18(16)25)11-13-6-3-2-4-7-13/h2-10,21H,11H2,1H3,(H,26,27)(H,22,24,28)/b16-12-
InChIKey APBBMDIZXVRQEN-VBKFSLOCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13524
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: D86145; Labnumber: KKA-0212A-0304; SBI_ID: SBI-013527
Synonyms 3-{[1-(1-benzyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)ethyl]amino}benzoic acid
Temperature 318 °C