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1-[(5-Methyl-1,3-diphenyl-1H-pyrazol-4-yl)carbonyl]azepane
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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AEZitWzanZ3
Name 1H-azepine, hexahydro-1-[(5-methyl-1,3-diphenyl-1H-pyrazol-4-yl)carbonyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 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
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4322
Solvent DMSO-d6
Source Vendor ID: NMR/9291432; Lab Info: PNA; Lab Number: PNA-NA00595