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dimethyl 5-({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)isophthalate
SpectraBase Compound ID 5cc0h3Lyc0L
InChI InChI=1S/C23H22ClN3O5/c1-13-20(24)14(2)27(26-13)12-15-6-5-7-16(8-15)21(28)25-19-10-17(22(29)31-3)9-18(11-19)23(30)32-4/h5-11H,12H2,1-4H3,(H,25,28)
InChIKey WCVGZVCXRXBISO-UHFFFAOYSA-N
Mol Weight 455.9 g/mol
Molecular Formula C23H22ClN3O5
Exact Mass 455.124799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2VlsOvXQC2F
Name dimethyl 5-({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)isophthalate
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/C23H22ClN3O5/c1-13-20(24)14(2)27(26-13)12-15-6-5-7-16(8-15)21(28)25-19-10-17(22(29)31-3)9-18(11-19)23(30)32-4/h5-11H,12H2,1-4H3,(H,25,28)
InChIKey WCVGZVCXRXBISO-UHFFFAOYSA-N
NMR Offset 17.9119
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_29895
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: 1403345; SBI_ID: SBI-029899
Temperature 303 °C