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N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-6-chloro-2-(5-ethyl-2-thienyl)-4-quinolinecarboxamide
SpectraBase Compound ID EdWSVmPK3S8
InChI InChI=1S/C29H29ClN4OS/c1-2-21-4-6-26(36-21)25-13-23(22-12-20(30)3-5-24(22)31-25)28(35)32-27-7-8-34(33-27)29-14-17-9-18(15-29)11-19(10-17)16-29/h3-8,12-13,17-19H,2,9-11,14-16H2,1H3,(H,32,33,35)/t17-,18+,19-,29-
InChIKey BRGIICFMGVAGIP-XXUZKROJSA-N
Mol Weight 517.09 g/mol
Molecular Formula C29H29ClN4OS
Exact Mass 516.17506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3vjLondEnKL
Name N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-6-chloro-2-(5-ethyl-2-thienyl)-4-quinolinecarboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H29ClN4OS/c1-2-21-4-6-26(36-21)25-13-23(22-12-20(30)3-5-24(22)31-25)28(35)32-27-7-8-34(33-27)29-14-17-9-18(15-29)11-19(10-17)16-29/h3-8,12-13,17-19H,2,9-11,14-16H2,1H3,(H,32,33,35)/t17-,18+,19-,29-
InChIKey BRGIICFMGVAGIP-XXUZKROJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6591
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/1267723; Labnumber: COL2729; UZI_ID: UZI-006593
Temperature 318 °C