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[2-(5-benzoyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)phenoxy]acetonitrile
SpectraBase Compound ID D4Wn5l1UdAs
InChI InChI=1S/C25H19N3O2S/c26-15-16-30-20-14-8-7-13-19(20)23-21(24(29)18-11-5-2-6-12-18)22(27-25(31)28-23)17-9-3-1-4-10-17/h1-14,23H,16H2,(H2,27,28,31)
InChIKey QFFQKLXUYMWQAC-UHFFFAOYSA-N
Mol Weight 425.51 g/mol
Molecular Formula C25H19N3O2S
Exact Mass 425.119798 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lj04po6zkho
Name [2-(5-benzoyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)phenoxy]acetonitrile
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/C25H19N3O2S/c26-15-16-30-20-14-8-7-13-19(20)23-21(24(29)18-11-5-2-6-12-18)22(27-25(31)28-23)17-9-3-1-4-10-17/h1-14,23H,16H2,(H2,27,28,31)
InChIKey QFFQKLXUYMWQAC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5342
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/9324889; Labnumber: BMWA-181372; UZI_ID: UZI-005344
Temperature 308 °C