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5-Benzyl 1-ethyl 3-methyl-4,5-dihydro-1H-pyrazole-1,5-dicarboxylate

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

5-Benzyl 1-ethyl 3-methyl-4,5-dihydro-1H-pyrazole-1,5-dicarboxylate
SpectraBase Compound ID 88Enh4UYtFJ
InChI InChI=1S/C15H18N2O4/c1-3-20-15(19)17-13(9-11(2)16-17)14(18)21-10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3
InChIKey VWDIELDVVTUZEN-UHFFFAOYSA-N
Mol Weight 290.32 g/mol
Molecular Formula C15H18N2O4
Exact Mass 290.126657 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JugRn3Uswj9
Name 5-Benzyl 1-ethyl 3-methyl-4,5-dihydro-1H-pyrazole-1,5-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.126657064 u
Formula C15H18N2O4
InChI InChI=1S/C15H18N2O4/c1-3-20-15(19)17-13(9-11(2)16-17)14(18)21-10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3
InChIKey VWDIELDVVTUZEN-UHFFFAOYSA-N
SMILES C1(=NN(C(=O)OCC)C(C(=O)OCC2=CC=CC=C2)C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957092