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N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 5fB58glZ2HP
InChI InChI=1S/C16H16N6O7S/c1-8-9(2)20-29-15(8)21-30(26,27)11-6-4-10(5-7-11)17-14(23)12-13(22(24)25)16(28-3)19-18-12/h4-7,21H,1-3H3,(H,17,23)(H,18,19)
InChIKey VVLFTCAWPQWEER-UHFFFAOYSA-N
Mol Weight 436.4 g/mol
Molecular Formula C16H16N6O7S
Exact Mass 436.080118 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2NQxUzoX7X5
Name N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.080118046 u
Formula C16H16N6O7S
InChI InChI=1S/C16H16N6O7S/c1-8-9(2)20-29-15(8)21-30(26,27)11-6-4-10(5-7-11)17-14(23)12-13(22(24)25)16(28-3)19-18-12/h4-7,21H,1-3H3,(H,17,23)(H,18,19)
InChIKey VVLFTCAWPQWEER-UHFFFAOYSA-N
Molecular Weight 436.399 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3477
Solvent DMSO-d6
Source Vendor ID: NMR/12289432