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cyclododeca[e]pyrazolo[1,5-a]pyrimidine, 3-(4-chlorophenyl)-5-(3-fluorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydro-
SpectraBase Compound ID 489LnT3InJ2
InChI InChI=1S/C28H29ClFN3/c29-22-16-14-20(15-17-22)25-19-31-33-26-13-8-6-4-2-1-3-5-7-12-24(26)27(32-28(25)33)21-10-9-11-23(30)18-21/h9-11,14-19H,1-8,12-13H2
InChIKey OYYWMABLUSHMRM-UHFFFAOYSA-N
Mol Weight 462.01 g/mol
Molecular Formula C28H29ClFN3
Exact Mass 461.203404 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8dqs7jGZrnN
Name cyclododeca[e]pyrazolo[1,5-a]pyrimidine, 3-(4-chlorophenyl)-5-(3-fluorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydro-
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/C28H29ClFN3/c29-22-16-14-20(15-17-22)25-19-31-33-26-13-8-6-4-2-1-3-5-7-12-24(26)27(32-28(25)33)21-10-9-11-23(30)18-21/h9-11,14-19H,1-8,12-13H2
InChIKey OYYWMABLUSHMRM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5748
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: NMR/18211126; Labnumber: AAP9001012135