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3,5,8,10-Tridecatetraene-1,12-diyn-7-one, 3,11-diphenyl-
SpectraBase Compound ID 3yfyzPfx4JB
InChI InChI=1S/C25H18O/c1-3-21(23-13-7-5-8-14-23)17-11-19-25(26)20-12-18-22(4-2)24-15-9-6-10-16-24/h1-2,5-20H/b19-11-,20-12+,21-17-,22-18+
InChIKey YYQQDQKUCRHPPZ-FPVOAJLJSA-N
Mol Weight 334.42 g/mol
Molecular Formula C25H18O
Exact Mass 334.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVawL7IAz4i
Name 3,5,8,10-Tridecatetraene-1,12-diyn-7-one, 3,11-diphenyl-
Alternate Name(s) (3Z,5Z,8E,10E)-3,11-diphenyl-3,5,8,10-tridecatetraene-1,12-diyn-7-one 3,11-Diphenyl-3,5,8,10-tridecatetraene-1,2-diyn-7-one
CAS Registry Number 114657-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18O
InChI InChI=1S/C25H18O/c1-3-21(23-13-7-5-8-14-23)17-11-19-25(26)20-12-18-22(4-2)24-15-9-6-10-16-24/h1-2,5-20H/b19-11-,20-12+,21-17-,22-18+
InChIKey YYQQDQKUCRHPPZ-FPVOAJLJSA-N
Molecular Weight 334.418 g/mol
SMILES C(\C(=C\C=C/C(\C=C\C=C/(C#C)c1ccccc1)=O)c1ccccc1)#C
SPLASH splash10-0f89-0902000000-b34829634e74866206bb
Source of Spectrum KC-1987-2327-27
Wiley ID 1331443