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3-[1-acetyl-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-quinolinyl methyl ether

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3-[1-acetyl-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-quinolinyl methyl ether
SpectraBase Compound ID Lv9eyC5bXZ
InChI InChI=1S/C21H17BrClN3O2/c1-12(27)26-20(11-19(25-26)13-3-6-15(22)7-4-13)17-9-14-5-8-16(28-2)10-18(14)24-21(17)23/h3-10,20H,11H2,1-2H3
InChIKey XTYQYFCBTBYZBW-UHFFFAOYSA-N
Mol Weight 458.74 g/mol
Molecular Formula C21H17BrClN3O2
Exact Mass 457.019267 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KnkHUbWWseM
Name 3-[1-acetyl-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-quinolinyl methyl ether
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/C21H17BrClN3O2/c1-12(27)26-20(11-19(25-26)13-3-6-15(22)7-4-13)17-9-14-5-8-16(28-2)10-18(14)24-21(17)23/h3-10,20H,11H2,1-2H3
InChIKey XTYQYFCBTBYZBW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8358
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: 128596; Labnumber: EX00124894; VK_ID: VK-008362
Synonyms 3-[1-acetyl-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methoxyquinoline
Temperature 318 °C