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2-(3-bromophenyl)-N-{3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}-4-quinolinecarboxamide
SpectraBase Compound ID eCTrCVPxFa
InChI InChI=1S/C27H23BrN4O2S/c1-4-32(5-2)27(34)24-16(3)21(15-29)26(35-24)31-25(33)20-14-23(17-9-8-10-18(28)13-17)30-22-12-7-6-11-19(20)22/h6-14H,4-5H2,1-3H3,(H,31,33)
InChIKey YREHTZXWNNDCDP-UHFFFAOYSA-N
Mol Weight 547.47 g/mol
Molecular Formula C27H23BrN4O2S
Exact Mass 546.07251 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 60KBzMNdgY0
Name 2-(3-bromophenyl)-N-{3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}-4-quinolinecarboxamide
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/C27H23BrN4O2S/c1-4-32(5-2)27(34)24-16(3)21(15-29)26(35-24)31-25(33)20-14-23(17-9-8-10-18(28)13-17)30-22-12-7-6-11-19(20)22/h6-14H,4-5H2,1-3H3,(H,31,33)
InChIKey YREHTZXWNNDCDP-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3679
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/8102448; UBI_ID: UBI-003680
Temperature 313 °C