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methyl (4-{5-[(benzylamino)carbonyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl}phenoxy)acetate
SpectraBase Compound ID CE3qaXHThx4
InChI InChI=1S/C22H23N3O4S/c1-14-19(21(27)23-12-15-6-4-3-5-7-15)20(25-22(30)24-14)16-8-10-17(11-9-16)29-13-18(26)28-2/h3-11,20H,12-13H2,1-2H3,(H,23,27)(H2,24,25,30)
InChIKey WIMKCEJQYPEYMC-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C22H23N3O4S
Exact Mass 425.140927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ksfu3sCKSlS
Name methyl (4-{5-[(benzylamino)carbonyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl}phenoxy)acetate
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/C22H23N3O4S/c1-14-19(21(27)23-12-15-6-4-3-5-7-15)20(25-22(30)24-14)16-8-10-17(11-9-16)29-13-18(26)28-2/h3-11,20H,12-13H2,1-2H3,(H,23,27)(H2,24,25,30)
InChIKey WIMKCEJQYPEYMC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31539
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: 1842988; SBI_ID: SBI-031543
Temperature 308 °C