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4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[2-(phenylsulfanyl)phenyl]-3-isoxazolecarboxamide
SpectraBase Compound ID CC6XpW23eRn
InChI InChI=1S/C23H21N5O4S/c1-14-22(28(30)31)15(2)27(25-14)13-18-16(3)32-26-21(18)23(29)24-19-11-7-8-12-20(19)33-17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H,24,29)
InChIKey NRGMFIIGCUYVKE-UHFFFAOYSA-N
Mol Weight 463.51 g/mol
Molecular Formula C23H21N5O4S
Exact Mass 463.131425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B8ZNwjkvzT0
Name 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[2-(phenylsulfanyl)phenyl]-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/C23H21N5O4S/c1-14-22(28(30)31)15(2)27(25-14)13-18-16(3)32-26-21(18)23(29)24-19-11-7-8-12-20(19)33-17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H,24,29)
InChIKey NRGMFIIGCUYVKE-UHFFFAOYSA-N
NMR Offset 17.912
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32898
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: 1911721; SBI_ID: SBI-032902
Temperature 303 °C