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2-{[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-6-phenyl-4-pyrimidinol
SpectraBase Compound ID 8Sf9XE8PLPY
InChI InChI=1S/C26H21N3O2S/c30-24-16-21(18-8-2-1-3-9-18)27-26(28-24)32-17-25(31)29-22-12-6-4-10-19(22)14-15-20-11-5-7-13-23(20)29/h1-13,16H,14-15,17H2,(H,27,28,30)
InChIKey LJAWYAFGKHANCU-UHFFFAOYSA-N
Mol Weight 439.53 g/mol
Molecular Formula C26H21N3O2S
Exact Mass 439.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GNnkWBmwCc8
Name 2-{[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-6-phenyl-4-pyrimidinol
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/C26H21N3O2S/c30-24-16-21(18-8-2-1-3-9-18)27-26(28-24)32-17-25(31)29-22-12-6-4-10-19(22)14-15-20-11-5-7-13-23(20)29/h1-13,16H,14-15,17H2,(H,27,28,30)
InChIKey LJAWYAFGKHANCU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8041
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: 128355; Labnumber: VGU-15507; VK_ID: VK-008045
Temperature 308 °C