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2-amino-4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID AZQIdaIxINd
InChI InChI=1S/C28H25Cl2N5/c29-20-13-12-19(24(30)14-20)16-35-17-23(27(34-35)18-8-4-3-5-9-18)26-21-10-6-1-2-7-11-25(21)33-28(32)22(26)15-31/h3-5,8-9,12-14,17H,1-2,6-7,10-11,16H2,(H2,32,33)
InChIKey SILNUZXUQBRURB-UHFFFAOYSA-N
Mol Weight 502.45 g/mol
Molecular Formula C28H25Cl2N5
Exact Mass 501.148701 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4aeoPwgZ3gN
Name 2-amino-4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
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/C28H25Cl2N5/c29-20-13-12-19(24(30)14-20)16-35-17-23(27(34-35)18-8-4-3-5-9-18)26-21-10-6-1-2-7-11-25(21)33-28(32)22(26)15-31/h3-5,8-9,12-14,17H,1-2,6-7,10-11,16H2,(H2,32,33)
InChIKey SILNUZXUQBRURB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12564
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/9123138; UBI_ID: UBI-012567
Temperature 318 °C