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Ethyl 2-(bis(6-methoxynaphthalen-2-yl)methylene)-4-phenylbut-3-ynoate
SpectraBase Compound ID DnFR0mtAx5D
InChI InChI=1S/C35H28O4/c1-4-39-35(36)33(19-10-24-8-6-5-7-9-24)34(29-13-11-27-22-31(37-2)17-15-25(27)20-29)30-14-12-28-23-32(38-3)18-16-26(28)21-30/h5-9,11-18,20-23H,4H2,1-3H3
InChIKey IDMAEFLTYMCSBX-UHFFFAOYSA-N
Mol Weight 512.6 g/mol
Molecular Formula C35H28O4
Exact Mass 512.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VMEl6CM6Hu
Name Ethyl 2-(bis(6-methoxynaphthalen-2-yl)methylene)-4-phenylbut-3-ynoate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H28O4
InChI InChI=1S/C35H28O4/c1-4-39-35(36)33(19-10-24-8-6-5-7-9-24)34(29-13-11-27-22-31(37-2)17-15-25(27)20-29)30-14-12-28-23-32(38-3)18-16-26(28)21-30/h5-9,11-18,20-23H,4H2,1-3H3
InChIKey IDMAEFLTYMCSBX-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901830
Molecular Weight 512.605 g/mol
Reported Formula C35H28O4
SMILES C(c1cc2c(cc1)cc(cc2)OC)(c1ccc2c(c1)ccc(c2)OC)=C(C#Cc1ccccc1)C(OCC)=O
SPLASH splash10-08fr-5723890000-e9737bae365483fd9908
Source of Spectrum U1-2020-SM208-15b
Wiley ID 1858840