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Diethyl 1-(anilinocarbonyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Diethyl 1-(anilinocarbonyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate
SpectraBase Compound ID 62qOrDZXLKM
InChI InChI=1S/C16H19N3O5/c1-3-23-14(20)12-10-13(15(21)24-4-2)19(18-12)16(22)17-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,17,22)
InChIKey LRDOQYXNDGYVKJ-UHFFFAOYSA-N
Mol Weight 333.34 g/mol
Molecular Formula C16H19N3O5
Exact Mass 333.132471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7yMGDI6WgZ
Name Diethyl 1-(anilinocarbonyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.132470719 u
Formula C16H19N3O5
InChI InChI=1S/C16H19N3O5/c1-3-23-14(20)12-10-13(15(21)24-4-2)19(18-12)16(22)17-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,17,22)
InChIKey LRDOQYXNDGYVKJ-UHFFFAOYSA-N
Molecular Weight 333.344 g/mol
SMILES C1(C(OCC)=O)=NN(C(=O)NC2=CC=CC=C2)C(C(=O)OCC)C1