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(R*,R*)-Dimethyl 2-[2-phenyl-2-(3,3-bismethoxycarbonyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl]malonate
SpectraBase Compound ID 5T385ODaI3r
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/t15-,16-/m1/s1
InChIKey GCOJNDLFJDPCKF-HZPDHXFCSA-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 HlFdJIKcSCK
Name (R*,R*)-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/t15-,16-/m1/s1
InChIKey GCOJNDLFJDPCKF-HZPDHXFCSA-N
Molecular Weight 420.418 g/mol
SMILES C1(=NN([C@](C1)(C(=O)OC)[H])[C@](CC(C(=O)OC)C(=O)OC)(c1ccccc1)[H])C(=O)OC
SPLASH splash10-016r-0931000000-c84641d0b4174388e700
Source of Spectrum F-66-9156-4g
Synonyms (3R)-2-[(1R)-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenylbutyl]-3,4-dihydropyrazole-3,5-dicarboxylic acid dimethyl ester Dimethyl (3R)-2-[(1R)-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenylbutyl]-3,4-dihydropyrazole-3,5-dicarboxylate Dimethyl (3R)-2-[(1R)-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenyl-butyl]-3,4-dihydropyrazole-3,5-dicarboxylate Dimethyl (3R)-2-[(1R)-4-methoxy-3-methoxycarbonyl-4-oxidanylidene-1-phenyl-butyl]-3,4-dihydropyrazole-3,5-dicarboxylate
Wiley ID 1685033