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

*Links on SpectraBase are not permalinks.

Methanone, (1-azepanyl)(5-methyl-1,3-diphenyl-4-pyrazolyl)-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Methanone, (1-azepanyl)(5-methyl-1,3-diphenyl-4-pyrazolyl)-
SpectraBase Compound ID KhIcn1f1KOp
InChI InChI=1S/C23H25N3O/c1-18-21(23(27)25-16-10-2-3-11-17-25)22(19-12-6-4-7-13-19)24-26(18)20-14-8-5-9-15-20/h4-9,12-15H,2-3,10-11,16-17H2,1H3
InChIKey HPNDTFJTAOSJQJ-UHFFFAOYSA-N
Mol Weight 359.47 g/mol
Molecular Formula C23H25N3O
Exact Mass 359.199762 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 E9RbpGCSa2a
Name Methanone, (1-azepanyl)(5-methyl-1,3-diphenyl-4-pyrazolyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.199762436 u
Formula C23H25N3O
InChI InChI=1S/C23H25N3O/c1-18-21(23(27)25-16-10-2-3-11-17-25)22(19-12-6-4-7-13-19)24-26(18)20-14-8-5-9-15-20/h4-9,12-15H,2-3,10-11,16-17H2,1H3
InChIKey HPNDTFJTAOSJQJ-UHFFFAOYSA-N
Molecular Weight 359.473 g/mol
SMILES C1(=C(N(C2=CC=CC=C2)N=C1C=1C=CC=CC1)C)C(N1CCCCCC1)=O