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2,2,4-trimethyl-1-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}-1,2-dihydroquinoline
SpectraBase Compound ID FMIIMTlvupT
InChI InChI=1S/C22H21N3O2S/c1-15-13-22(2,3)25(18-12-8-7-11-17(15)18)19(26)14-28-21-24-23-20(27-21)16-9-5-4-6-10-16/h4-13H,14H2,1-3H3
InChIKey LXRANVJVIIVFGH-UHFFFAOYSA-N
Mol Weight 391.49 g/mol
Molecular Formula C22H21N3O2S
Exact Mass 391.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K7ZUZJgYzp1
Name 2,2,4-trimethyl-1-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}-1,2-dihydroquinoline
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/C22H21N3O2S/c1-15-13-22(2,3)25(18-12-8-7-11-17(15)18)19(26)14-28-21-24-23-20(27-21)16-9-5-4-6-10-16/h4-13H,14H2,1-3H3
InChIKey LXRANVJVIIVFGH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6682
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: 123883; Labnumber: VGU-15047; VK_ID: VK-006685
Synonyms 2-oxo-2-(2,2,4-trimethyl-1(2H)-quinolinyl)ethyl 5-phenyl-1,3,4-oxadiazol-2-yl sulfide
Temperature 318 °C