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ethyl 3-({4-[(ethylamino)sulfonyl]anilino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate
SpectraBase Compound ID D6B4slYKkPW
InChI InChI=1S/C16H20N4O5S/c1-4-17-26(23,24)12-8-6-11(7-9-12)18-15(21)13-10-14(20(3)19-13)16(22)25-5-2/h6-10,17H,4-5H2,1-3H3,(H,18,21)
InChIKey IEEBAYCILZVNID-UHFFFAOYSA-N
Mol Weight 380.42 g/mol
Molecular Formula C16H20N4O5S
Exact Mass 380.115441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZv1bVnABuV
Name Ethyl 3-({4-[(ethylamino)sulfonyl]anilino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.115440929 u
Formula C16H20N4O5S
InChI InChI=1S/C16H20N4O5S/c1-4-17-26(23,24)12-8-6-11(7-9-12)18-15(21)13-10-14(20(3)19-13)16(22)25-5-2/h6-10,17H,4-5H2,1-3H3,(H,18,21)
InChIKey IEEBAYCILZVNID-UHFFFAOYSA-N
Molecular Weight 380.419 g/mol
SMILES N(C(C=1C=C(N(N1)C)C(=O)OCC)=O)C=1C=CC(S(=O)(=O)NCC)=CC1