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methyl 2,5-diphenyl-3,4-dihydropyrazole-4-carboxylate
SpectraBase Compound ID K4tD3xgmvv2
InChI InChI=1S/C17H16N2O2/c1-21-17(20)15-12-19(14-10-6-3-7-11-14)18-16(15)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3
InChIKey LYINVBVYOBVQAD-UHFFFAOYSA-N
Mol Weight 280.33 g/mol
Molecular Formula C17H16N2O2
Exact Mass 280.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6T3GpwRFoAy
Name methyl 2,5-diphenyl-3,4-dihydropyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.121177761 u
Formula C17H16N2O2
InChI InChI=1S/C17H16N2O2/c1-21-17(20)15-12-19(14-10-6-3-7-11-14)18-16(15)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3
InChIKey LYINVBVYOBVQAD-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.2c02610
Quality 776
SMILES C1=CC(=CC=C1)N1CC(C(=N1)C1=CC=CC=C1)C(=O)OC
SPLASH splash10-00e9-3390000000-964c44deb24622de25b5
Source of Spectrum JOC-88-SM13-12 (DOI: 10.1021/acs.joc.2c02610)
Wiley ID 1912628