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4-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
SpectraBase Compound ID 9JffK7iiC32
InChI InChI=1S/C27H25N3O3/c1-16-25(30-26(31)23-19-11-12-20(14-19)24(23)27(30)32)17(2)29(28-16)15-18-7-6-10-22(13-18)33-21-8-4-3-5-9-21/h3-13,19-20,23-24H,14-15H2,1-2H3
InChIKey HCEUSCFZBUZVRP-UHFFFAOYSA-N
Mol Weight 439.52 g/mol
Molecular Formula C27H25N3O3
Exact Mass 439.189592 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fq8xZjTRA1j
Name 4-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
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/C27H25N3O3/c1-16-25(30-26(31)23-19-11-12-20(14-19)24(23)27(30)32)17(2)29(28-16)15-18-7-6-10-22(13-18)33-21-8-4-3-5-9-21/h3-13,19-20,23-24H,14-15H2,1-2H3
InChIKey HCEUSCFZBUZVRP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33065
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: 1911990; SBI_ID: SBI-033069
Temperature 318 °C