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(R*,S*)-Dimethyl 2-[2-phenyl-2-(3,3-bismethoxycarbonyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl]malonate
SpectraBase Compound ID 8fEcebscHGE
InChI InChI=1S/C20H24N2O8/c1-27-17(23)13(18(24)28-2)10-15(12-8-6-5-7-9-12)22-16(20(26)30-4)11-14(21-22)19(25)29-3/h5-9,13,15-16H,10-11H2,1-4H3
InChIKey GCOJNDLFJDPCKF-UHFFFAOYSA-N
Mol Weight 420.42 g/mol
Molecular Formula C20H24N2O8
Exact Mass 420.153266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdfxCptajhf
Name (R*,S*)-Dimethyl 2-[2-phenyl-2-(3,3-bismethoxycarbonyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl]malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O8
InChI InChI=1S/C20H24N2O8/c1-27-17(23)13(18(24)28-2)10-15(12-8-6-5-7-9-12)22-16(20(26)30-4)11-14(21-22)19(25)29-3/h5-9,13,15-16H,10-11H2,1-4H3
InChIKey GCOJNDLFJDPCKF-UHFFFAOYSA-N
Molecular Weight 420.418 g/mol
SMILES C1(=NN(C(C1)C(=O)OC)C(CC(C(=O)OC)C(=O)OC)c1ccccc1)C(=O)OC
SPLASH splash10-016r-1931000000-7fb20a515b59eb75d6e6
Source of Spectrum F-66-9156-4g
Synonyms 1-(3,3-Bis-methoxycarbonyl-1-phenyl-propyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester
Wiley ID 1685032