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

*Links on SpectraBase are not permalinks.
1-(1-adamantyl)-N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-4-nitro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID KjhLpvzibdl
InChI InChI=1S/C24H24ClFN6O3/c25-18-2-1-3-19(26)17(18)12-30-5-4-21(28-30)27-23(33)22-20(32(34)35)13-31(29-22)24-9-14-6-15(10-24)8-16(7-14)11-24/h1-5,13-16H,6-12H2,(H,27,28,33)/t14-,15+,16-,24-
InChIKey ICBJIGAHIOKIDU-FNTHXKTLSA-N
Mol Weight 498.95 g/mol
Molecular Formula C24H24ClFN6O3
Exact Mass 498.158245 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 5A6eq9thkzZ
Name 1-(1-adamantyl)-N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-4-nitro-1H-pyrazole-3-carboxamide
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/C24H24ClFN6O3/c25-18-2-1-3-19(26)17(18)12-30-5-4-21(28-30)27-23(33)22-20(32(34)35)13-31(29-22)24-9-14-6-15(10-24)8-16(7-14)11-24/h1-5,13-16H,6-12H2,(H,27,28,33)/t14-,15+,16-,24-
InChIKey ICBJIGAHIOKIDU-FNTHXKTLSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20859
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: UZI/9315447; UBI_ID: UBI-020863
Temperature 308 °C