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N-(3-chloro-2-methylphenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxamide
SpectraBase Compound ID 3ZhyMEgZkST
InChI InChI=1S/C18H18ClN5O4/c1-9-14(19)6-5-7-15(9)20-18(25)16-13(12(4)28-22-16)8-23-11(3)17(24(26)27)10(2)21-23/h5-7H,8H2,1-4H3,(H,20,25)
InChIKey LMEPSVDUEZGXQO-UHFFFAOYSA-N
Mol Weight 403.83 g/mol
Molecular Formula C18H18ClN5O4
Exact Mass 403.104732 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8hEFMR9EvUu
Name N-(3-chloro-2-methylphenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxamide
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/C18H18ClN5O4/c1-9-14(19)6-5-7-15(9)20-18(25)16-13(12(4)28-22-16)8-23-11(3)17(24(26)27)10(2)21-23/h5-7H,8H2,1-4H3,(H,20,25)
InChIKey LMEPSVDUEZGXQO-UHFFFAOYSA-N
NMR Offset 17.9121
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33055
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: 1911970; SBI_ID: SBI-033059
Temperature 303 °C