SpectraBase Compound ID | LK0MgqX96T8 |
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InChI | InChI=1S/C16H15N7O5S/c1-2-22-10-13(23(25)26)14(20-22)15(24)19-11-4-6-12(7-5-11)29(27,28)21-16-17-8-3-9-18-16/h3-10H,2H2,1H3,(H,19,24)(H,17,18,21) |
InChIKey | FRVHUIPMPPZKIV-UHFFFAOYSA-N |
Mol Weight | 417.4 g/mol |
Molecular Formula | C16H15N7O5S |
Exact Mass | 417.085538 g/mol |
SpectraBase Spectrum ID | 6cS6KYsTWKq |
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Name | 1-ethyl-4-nitro-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-1H-pyrazole-3-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 | 417.085537780 u |
Formula | C16H15N7O5S |
InChI | InChI=1S/C16H15N7O5S/c1-2-22-10-13(23(25)26)14(20-22)15(24)19-11-4-6-12(7-5-11)29(27,28)21-16-17-8-3-9-18-16/h3-10H,2H2,1H3,(H,19,24)(H,17,18,21) |
InChIKey | FRVHUIPMPPZKIV-UHFFFAOYSA-N |
Molecular Weight | 417.400 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_3473 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12289396 |