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6-({[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID 1TUD5A9wVo7
InChI InChI=1S/C26H27N3O4/c1-17-24(27-25(30)22-13-6-7-14-23(22)26(31)32)18(2)29(28-17)16-19-9-8-12-21(15-19)33-20-10-4-3-5-11-20/h3-12,15,22-23H,13-14,16H2,1-2H3,(H,27,30)(H,31,32)
InChIKey OCVHAAHRTWPZHY-UHFFFAOYSA-N
Mol Weight 445.52 g/mol
Molecular Formula C26H27N3O4
Exact Mass 445.200156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID jCeTsoj54m
Name 6-({[3,5-dimethyl-1-(3-phenoxybenzyl)-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/C26H27N3O4/c1-17-24(27-25(30)22-13-6-7-14-23(22)26(31)32)18(2)29(28-17)16-19-9-8-12-21(15-19)33-20-10-4-3-5-11-20/h3-12,15,22-23H,13-14,16H2,1-2H3,(H,27,30)(H,31,32)
InChIKey OCVHAAHRTWPZHY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34740
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: 9255646; SBI_ID: SBI-034744
Temperature 318 °C