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(2-{5-[(benzylamino)carbonyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl}phenoxy)acetic acid
SpectraBase Compound ID 12jOmJJHwR6
InChI InChI=1S/C21H21N3O4S/c1-13-18(20(27)22-11-14-7-3-2-4-8-14)19(24-21(29)23-13)15-9-5-6-10-16(15)28-12-17(25)26/h2-10,19H,11-12H2,1H3,(H,22,27)(H,25,26)(H2,23,24,29)
InChIKey ULPPGPGTIRXPOJ-UHFFFAOYSA-N
Mol Weight 411.48 g/mol
Molecular Formula C21H21N3O4S
Exact Mass 411.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BULkhhXKi46
Name (2-{5-[(benzylamino)carbonyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl}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/C21H21N3O4S/c1-13-18(20(27)22-11-14-7-3-2-4-8-14)19(24-21(29)23-13)15-9-5-6-10-16(15)28-12-17(25)26/h2-10,19H,11-12H2,1H3,(H,22,27)(H,25,26)(H2,23,24,29)
InChIKey ULPPGPGTIRXPOJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31569
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: 1843036; SBI_ID: SBI-031573
Temperature 306 °C