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5-Benzyl 3-ethyl 1-methyl 4,5-dihydro-1H-pyrazole-1,3,5-tricarboxylate
SpectraBase Compound ID 2VEGl1cmmaJ
InChI InChI=1S/C16H18N2O6/c1-3-23-14(19)12-9-13(18(17-12)16(21)22-2)15(20)24-10-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKey SFHCKPMYZWGGSG-UHFFFAOYSA-N
Mol Weight 334.33 g/mol
Molecular Formula C16H18N2O6
Exact Mass 334.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kz0hzUyfx5
Name 5-Benzyl 3-ethyl 1-methyl 4,5-dihydro-1H-pyrazole-1,3,5-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O6
InChI InChI=1S/C16H18N2O6/c1-3-23-14(19)12-9-13(18(17-12)16(21)22-2)15(20)24-10-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKey SFHCKPMYZWGGSG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo5016097
Molecular Weight 334.328 g/mol
SMILES C1(C(OCC)=O)=NN(C(C(=O)OCc2ccccc2)C1)C(=O)OC
SPLASH splash10-0udj-0900000000-20fa0db3bb31f0a5d2b9
Source of Spectrum J-79-8336-3s
Wiley ID 1748176