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2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 5AVyKWAdCyY
InChI InChI=1S/C27H24BrN5/c28-20-13-11-18(12-14-20)16-33-17-23(26(32-33)19-7-3-1-4-8-19)25-21-9-5-2-6-10-24(21)31-27(30)22(25)15-29/h1,3-4,7-8,11-14,17H,2,5-6,9-10,16H2,(H2,30,31)
InChIKey KOHLDQPHBJJKDG-UHFFFAOYSA-N
Mol Weight 498.43 g/mol
Molecular Formula C27H24BrN5
Exact Mass 497.121509 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AV41HX58Ycs
Name 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
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/C27H24BrN5/c28-20-13-11-18(12-14-20)16-33-17-23(26(32-33)19-7-3-1-4-8-19)25-21-9-5-2-6-10-24(21)31-27(30)22(25)15-29/h1,3-4,7-8,11-14,17H,2,5-6,9-10,16H2,(H2,30,31)
InChIKey KOHLDQPHBJJKDG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1111
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: 9311260; UBI_ID: UBI-001112
Temperature 308 °C