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

*Links on SpectraBase are not permalinks.
6-({[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID 8XGD5Z5EQGk
InChI InChI=1S/C20H21Cl2N3O3/c1-11-18(23-19(26)13-6-3-4-7-14(13)20(27)28)12(2)25(24-11)10-15-16(21)8-5-9-17(15)22/h3-5,8-9,13-14H,6-7,10H2,1-2H3,(H,23,26)(H,27,28)
InChIKey VXODYQDSLYFXKR-UHFFFAOYSA-N
Mol Weight 422.31 g/mol
Molecular Formula C20H21Cl2N3O3
Exact Mass 421.095997 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 LYLg7LXB9i2
Name 6-({[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
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/C20H21Cl2N3O3/c1-11-18(23-19(26)13-6-3-4-7-14(13)20(27)28)12(2)25(24-11)10-15-16(21)8-5-9-17(15)22/h3-5,8-9,13-14H,6-7,10H2,1-2H3,(H,23,26)(H,27,28)
InChIKey VXODYQDSLYFXKR-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4160
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/9135541; Labnumber: BAM_UACK/004267; UZI_ID: UZI-004162
Temperature 313 °C