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[2-(5-benzoyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)phenoxy]acetic acid
SpectraBase Compound ID DAH03ea0xsy
InChI InChI=1S/C25H20N2O4S/c28-20(29)15-31-19-14-8-7-13-18(19)23-21(24(30)17-11-5-2-6-12-17)22(26-25(32)27-23)16-9-3-1-4-10-16/h1-14,23H,15H2,(H,28,29)(H2,26,27,32)
InChIKey XKVGNAJJKWAGIW-UHFFFAOYSA-N
Mol Weight 444.51 g/mol
Molecular Formula C25H20N2O4S
Exact Mass 444.114378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9YLjezq778S
Name [2-(5-benzoyl-6-phenyl-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/C25H20N2O4S/c28-20(29)15-31-19-14-8-7-13-18(19)23-21(24(30)17-11-5-2-6-12-17)22(26-25(32)27-23)16-9-3-1-4-10-16/h1-14,23H,15H2,(H,28,29)(H2,26,27,32)
InChIKey XKVGNAJJKWAGIW-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5340
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: UZI/9329996; Labnumber: BMWA-181253; UZI_ID: UZI-005342
Temperature 308 °C