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

*Links on SpectraBase are not permalinks.
3H-pyrazol-3-one, 2,4-dihydro-4-[[5-hydroxy-3-methyl-1-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenyl)-1H-pyrazol-4-yl]methylene]-5-methyl-2-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenyl)-, (4E)-
SpectraBase Compound ID 6BrdNlD7r3x
InChI InChI=1S/C41H46N4O2/c1-24-36(38(46)44(42-24)34-7-3-32(4-8-34)40-18-26-11-27(19-40)13-28(12-26)20-40)17-37-25(2)43-45(39(37)47)35-9-5-33(6-10-35)41-21-29-14-30(22-41)16-31(15-29)23-41/h3-10,17,26-31,46H,11-16,18-23H2,1-2H3/b37-17+/t26-,27+,28-,29-,30+,31-,40-,41-
InChIKey XESKQVHMECPWDA-CPZQYNQKSA-N
Mol Weight 626.8 g/mol
Molecular Formula C41H46N4O2
Exact Mass 626.362077 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 GtCjcEJHmJs
Name 3H-pyrazol-3-one, 2,4-dihydro-4-[[5-hydroxy-3-methyl-1-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenyl)-1H-pyrazol-4-yl]methylene]-5-methyl-2-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenyl)-, (4E)-
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/C41H46N4O2/c1-24-36(38(46)44(42-24)34-7-3-32(4-8-34)40-18-26-11-27(19-40)13-28(12-26)20-40)17-37-25(2)43-45(39(37)47)35-9-5-33(6-10-35)41-21-29-14-30(22-41)16-31(15-29)23-41/h3-10,17,26-31,46H,11-16,18-23H2,1-2H3/b37-17+/t26-,27+,28-,29-,30+,31-,40-,41-
InChIKey XESKQVHMECPWDA-CPZQYNQKSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_10
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: NMR/10321467; Labnumber: LP-4300042