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Diethyl 2,2-bis(3-phenylprop-2-yn-1-yl)malonate
SpectraBase Compound ID 4wH0Zh5xbA0
InChI InChI=1S/C25H24O4/c1-3-28-23(26)25(24(27)29-4-2,19-11-17-21-13-7-5-8-14-21)20-12-18-22-15-9-6-10-16-22/h5-10,13-16H,3-4,19-20H2,1-2H3
InChIKey KYXAGNPPSKKYOB-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C25H24O4
Exact Mass 388.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fr2U5FhFmyc
Name Diethyl 2,2-bis(3-phenylprop-2-yn-1-yl)malonate
Appearance Pale yellow solid
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Formula C25H24O4
InChI InChI=1S/C25H24O4/c1-3-28-23(26)25(24(27)29-4-2,19-11-17-21-13-7-5-8-14-21)20-12-18-22-15-9-6-10-16-22/h5-10,13-16H,3-4,19-20H2,1-2H3
InChIKey KYXAGNPPSKKYOB-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 Mstation
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01631
Molecular Weight 388.463 g/mol
Reported Formula C25H24O4
SMILES C(CC#Cc1ccccc1)(CC#Cc1ccccc1)(C(=O)OCC)C(OCC)=O
SPLASH splash10-0006-0593000000-a2eccd7da4700af51ea9
Source of Spectrum A1-23-SM20-1c
Thin-Layer Chromatography Rf = 0.36 (hexane/AcOEt, 5:1)
Wiley ID 1868019