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Ethyl 2-(di[benzo[d][1,3]dioxol-5-yl]methylene)-4-phenylbut-3-ynoate
SpectraBase Compound ID 5KqKlXwoqyv
InChI InChI=1S/C27H20O6/c1-2-29-27(28)21(11-8-18-6-4-3-5-7-18)26(19-9-12-22-24(14-19)32-16-30-22)20-10-13-23-25(15-20)33-17-31-23/h3-7,9-10,12-15H,2,16-17H2,1H3
InChIKey OYTIDWPKVOOZEZ-UHFFFAOYSA-N
Mol Weight 440.45 g/mol
Molecular Formula C27H20O6
Exact Mass 440.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4So80a3SUa
Name Ethyl 2-(di[benzo[d][1,3]dioxol-5-yl]methylene)-4-phenylbut-3-ynoate
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20O6
InChI InChI=1S/C27H20O6/c1-2-29-27(28)21(11-8-18-6-4-3-5-7-18)26(19-9-12-22-24(14-19)32-16-30-22)20-10-13-23-25(15-20)33-17-31-23/h3-7,9-10,12-15H,2,16-17H2,1H3
InChIKey OYTIDWPKVOOZEZ-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901830
Molecular Weight 440.451 g/mol
Reported Formula C27H20O6
SMILES C(c1cc2c(cc1)OCO2)(c1ccc2c(c1)OCO2)=C(C#Cc1ccccc1)C(OCC)=O
SPLASH splash10-015c-7857900000-6df865c3d78d2f564217
Source of Spectrum U1-2020-SM205-15a
Wiley ID 1858839