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2-{2-[(4-methyl-6-phenyl-2-pyrimidinyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 8kFHf8Sd0XR
InChI InChI=1S/C21H17N3O2S/c1-14-13-18(15-7-3-2-4-8-15)23-21(22-14)27-12-11-24-19(25)16-9-5-6-10-17(16)20(24)26/h2-10,13H,11-12H2,1H3
InChIKey FERRQIIJAZBHOA-UHFFFAOYSA-N
Mol Weight 375.45 g/mol
Molecular Formula C21H17N3O2S
Exact Mass 375.104148 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CXTyF0CoMc5
Name 2-{2-[(4-methyl-6-phenyl-2-pyrimidinyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
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/C21H17N3O2S/c1-14-13-18(15-7-3-2-4-8-15)23-21(22-14)27-12-11-24-19(25)16-9-5-6-10-17(16)20(24)26/h2-10,13H,11-12H2,1H3
InChIKey FERRQIIJAZBHOA-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_8626
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/1024366; Labnumber: DOR1257; UZI_ID: UZI-008628
Temperature 300 °C