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5-[(2-pyrimidinylsulfanyl)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepine
SpectraBase Compound ID 4dZXCxNd9Qs
InChI InChI=1S/C20H17N3OS/c24-19(14-25-20-21-12-5-13-22-20)23-17-8-3-1-6-15(17)10-11-16-7-2-4-9-18(16)23/h1-9,12-13H,10-11,14H2
InChIKey OTBCOCQAXFXPFB-UHFFFAOYSA-N
Mol Weight 347.44 g/mol
Molecular Formula C20H17N3OS
Exact Mass 347.109233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3PL8L6NgKNR
Name 5-[(2-pyrimidinylsulfanyl)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepine
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/C20H17N3OS/c24-19(14-25-20-21-12-5-13-22-20)23-17-8-3-1-6-15(17)10-11-16-7-2-4-9-18(16)23/h1-9,12-13H,10-11,14H2
InChIKey OTBCOCQAXFXPFB-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5862
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: 123076; Labnumber: VGU-15026; VK_ID: VK-005865
Synonyms 2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl 2-pyrimidinyl sulfide
Temperature 308 °C