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1H-pyrazole-1-butanoic acid, 5-(2,4-dichlorophenyl)-4,5-dihydro-3-(4-methoxyphenyl)-gamma-oxo-

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1H-pyrazole-1-butanoic acid, 5-(2,4-dichlorophenyl)-4,5-dihydro-3-(4-methoxyphenyl)-gamma-oxo-
SpectraBase Compound ID L3EUsZkUWgz
InChI InChI=1S/C20H18Cl2N2O4/c1-28-14-5-2-12(3-6-14)17-11-18(15-7-4-13(21)10-16(15)22)24(23-17)19(25)8-9-20(26)27/h2-7,10,18H,8-9,11H2,1H3,(H,26,27)
InChIKey LLRALJXJPWATKY-UHFFFAOYSA-N
Mol Weight 421.28 g/mol
Molecular Formula C20H18Cl2N2O4
Exact Mass 420.064362 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JfX6v8JpZy1
Name 1H-pyrazole-1-butanoic acid, 5-(2,4-dichlorophenyl)-4,5-dihydro-3-(4-methoxyphenyl)-gamma-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.064362464 u
Formula C20H18Cl2N2O4
InChI InChI=1S/C20H18Cl2N2O4/c1-28-14-5-2-12(3-6-14)17-11-18(15-7-4-13(21)10-16(15)22)24(23-17)19(25)8-9-20(26)27/h2-7,10,18H,8-9,11H2,1H3,(H,26,27)
InChIKey LLRALJXJPWATKY-UHFFFAOYSA-N
Molecular Weight 421.280 g/mol
NMR Offset 17.9969
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12685
Solvent DMSO-d6
Source Vendor ID: ZI/10023480; Lab Info: PLU; Lab Number: FCI-435-0047