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methyl 3-{[(E)-(1-cycloheptyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
SpectraBase Compound ID mtAPGqCwaI
InChI InChI=1S/C20H23N3O5/c1-28-19(26)13-7-6-8-14(11-13)21-12-16-17(24)22-20(27)23(18(16)25)15-9-4-2-3-5-10-15/h6-8,11-12,15,21H,2-5,9-10H2,1H3,(H,22,24,27)/b16-12+
InChIKey UVGOMUNBVYGUSM-FOWTUZBSSA-N
Mol Weight 385.42 g/mol
Molecular Formula C20H23N3O5
Exact Mass 385.163771 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I4fxKSMOyXf
Name methyl 3-{[(E)-(1-cycloheptyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
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/C20H23N3O5/c1-28-19(26)13-7-6-8-14(11-13)21-12-16-17(24)22-20(27)23(18(16)25)15-9-4-2-3-5-10-15/h6-8,11-12,15,21H,2-5,9-10H2,1H3,(H,22,24,27)/b16-12+
InChIKey UVGOMUNBVYGUSM-FOWTUZBSSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29094
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: D90925; Labnumber: KKA-0211-3667; SBI_ID: SBI-029098
Synonyms methyl 3-{[(1-cycloheptyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
Temperature 318 °C