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Ethyl 3-(4-nitrophenyl)-1-pentanoyl-4,5-dihydro-1H-pyrazole-5-carboxylate
SpectraBase Compound ID 5mejjZi752M
InChI InChI=1S/C17H21N3O5/c1-3-5-6-16(21)19-15(17(22)25-4-2)11-14(18-19)12-7-9-13(10-8-12)20(23)24/h7-10,15H,3-6,11H2,1-2H3
InChIKey DJEQYEBSUNOQRF-UHFFFAOYSA-N
Mol Weight 347.37 g/mol
Molecular Formula C17H21N3O5
Exact Mass 347.148121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0QQdmqpU5T
Name Ethyl 3-(4-nitrophenyl)-1-pentanoyl-4,5-dihydro-1H-pyrazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O5
InChI InChI=1S/C17H21N3O5/c1-3-5-6-16(21)19-15(17(22)25-4-2)11-14(18-19)12-7-9-13(10-8-12)20(23)24/h7-10,15H,3-6,11H2,1-2H3
InChIKey DJEQYEBSUNOQRF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo5016097
Molecular Weight 347.371 g/mol
SMILES C1(=NN(C(=O)CCCC)C(C(=O)OCC)C1)c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0006-0930000000-068947e92cffb49bb3c5
Source of Spectrum J-79-8335-3g
Wiley ID 1748166