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2,4,10,12-Cyclotridecatetraene-6,8-diyn-1-one, 5,10-diphenyl-
SpectraBase Compound ID 53QK4xj2tKf
InChI InChI=1S/C25H16O/c26-25-19-9-17-23(21-11-3-1-4-12-21)15-7-8-16-24(18-10-20-25)22-13-5-2-6-14-22/h1-6,9-14,17-20H/b19-9-,20-10-,23-17+,24-18+
InChIKey CZFSLCRQLFIUNP-MJZAMSKASA-N
Mol Weight 332.4 g/mol
Molecular Formula C25H16O
Exact Mass 332.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nVlcVYLGxu
Name 2,4,10,12-Cyclotridecatetraene-6,8-diyn-1-one, 5,10-diphenyl-
Alternate Name(s) 5,10-diphenyl-2,4,10,12-cyclotridecatetraene-6,8-diyn-1-one 5,10-Diphenylcyclotrideca-2,4,10,12-tetraene-6,8-diyn-1-one
CAS Registry Number 114657-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16O
InChI InChI=1S/C25H16O/c26-25-19-9-17-23(21-11-3-1-4-12-21)15-7-8-16-24(18-10-20-25)22-13-5-2-6-14-22/h1-6,9-14,17-20H/b19-9-,20-10-,23-17+,24-18+
InChIKey CZFSLCRQLFIUNP-MJZAMSKASA-N
Molecular Weight 332.402 g/mol
SMILES C#1C#C\C(=C/C=C\C(\C=C/C=C\(C1)c1ccccc1)=O)c1ccccc1
SPLASH splash10-000i-0901000000-30af6898e81cc0ada736
Source of Spectrum KC-1987-2327-28
Wiley ID 1329992