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2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylmethyl)acrylic acid ethyl ester
SpectraBase Compound ID AtgJXn4FJwh
InChI InChI=1S/C17H20N2O3/c1-5-22-17(21)12(2)11-15-13(3)18(4)19(16(15)20)14-9-7-6-8-10-14/h6-10H,2,5,11H2,1,3-4H3
InChIKey ZVGNRBKYMKCZMK-UHFFFAOYSA-N
Mol Weight 300.36 g/mol
Molecular Formula C17H20N2O3
Exact Mass 300.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SmauKYvGC
Name ethyl 2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl)acrylate
Appearance Colorless oil
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Formula C17H20N2O3
InChI InChI=1S/C17H20N2O3/c1-5-22-17(21)12(2)11-15-13(3)18(4)19(16(15)20)14-9-7-6-8-10-14/h6-10H,2,5,11H2,1,3-4H3
InChIKey ZVGNRBKYMKCZMK-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A & Agilent Technologies 5975C Inert XL EI/CI MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201906898
Molecular Weight 300.358 g/mol
Reported Formula C17H20N2O3
SMILES C(C)OC(C(=C)CC=1C(N(N(C1C)C)c1ccccc1)=O)=O
SPLASH splash10-0fi0-0190000000-21cdfa69303877c2c33f
Source of Spectrum ACI-58-SM37-7p
Wiley ID 1875541