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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OtI28Y7tmI
Name Diethyl 1-(anilinocarbonyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate
Alternate Name(s) Diethyl 1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1021/jo5016097
Molecular Weight 333.344 g/mol
SMILES N(C(N1C(C(=O)OCC)CC(C(OCC)=O)=N1)=O)c1ccccc1
SPLASH splash10-0006-0900000000-4166a315fa932cba303f
Source of Spectrum J-79-8336-3n
Wiley ID 1748173