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

*Links on SpectraBase are not permalinks.
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile
SpectraBase Compound ID JJwZDtmcVyc
InChI InChI=1S/C28H23N5O2/c1-18-24(27(34)32(30-18)22-9-5-3-6-10-22)26(21-15-13-20(17-29)14-16-21)25-19(2)31-33(28(25)35)23-11-7-4-8-12-23/h3-16,26,34-35H,1-2H3
InChIKey CFBCFCMCPNUPOA-UHFFFAOYSA-N
Mol Weight 461.53 g/mol
Molecular Formula C28H23N5O2
Exact Mass 461.185175 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID BwN1zjdXcIo
Name 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile
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/C28H23N5O2/c1-18-24(27(34)32(30-18)22-9-5-3-6-10-22)26(21-15-13-20(17-29)14-16-21)25-19(2)31-33(28(25)35)23-11-7-4-8-12-23/h3-16,26,34-35H,1-2H3
InChIKey CFBCFCMCPNUPOA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_502
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: C30023; Labnumber: PETROV-0030; SBI_ID: SBI-000504
Temperature 318 °C