For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3zUITjW8aDv
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.189591674 u
Formula C27H25N3O3
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
Molecular Weight 439.515 g/mol
SMILES C=1C=CC(OC=2C=C(CN3C(=C(N4C(C5C6C=CC(C5C4=O)C6)=O)C(=N3)C)C)C=CC2)=CC1