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4-Benzyl-3-(2'-benzylethynyl)coumarin
SpectraBase Compound ID Ek9dGeNMamq
InChI InChI=1S/C25H18O2/c26-25-22(16-9-14-19-10-3-1-4-11-19)23(18-20-12-5-2-6-13-20)21-15-7-8-17-24(21)27-25/h1-8,10-13,15,17H,14,18H2
InChIKey XZJPSSVTBIPEKC-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C25H18O2
Exact Mass 350.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2ubnqtK33Q
Name 4-Benzyl-3-(2'-benzylethynyl)coumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18O2
InChI InChI=1S/C25H18O2/c26-25-22(16-9-14-19-10-3-1-4-11-19)23(18-20-12-5-2-6-13-20)21-15-7-8-17-24(21)27-25/h1-8,10-13,15,17H,14,18H2
InChIKey XZJPSSVTBIPEKC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.19980160607
Molecular Weight 350.417 g/mol
SMILES C=1(Cc2ccccc2)c2ccccc2OC(=O)C1C#CCc1ccccc1
SPLASH splash10-0006-9313000000-901900c8016fdc871823
Source of Spectrum CJC-16-530-3
Synonyms 4-Benzyl-3-(3-phenylprop-1-yn-1-yl)-2H-chromen-2-one
Wiley ID 1773374