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2,4-Pentadiyn-1-one, 1-phenyl-
SpectraBase Compound ID 9k8Qrq7q0mm
InChI InChI=1S/C11H6O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h1,4-8H
InChIKey ZKQQJUBGJLUJNT-UHFFFAOYSA-N
Mol Weight 154.17 g/mol
Molecular Formula C11H6O
Exact Mass 154.041865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44pqIov6Ho
Name 2,4-Pentadiyn-1-one, 1-phenyl-
CAS Registry Number 29743-36-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6O
InChI InChI=1S/C11H6O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h1,4-8H
InChIKey ZKQQJUBGJLUJNT-UHFFFAOYSA-N
Molecular Weight 154.168 g/mol
SMILES C#CC#CC(c1ccccc1)=O
SPLASH splash10-0ufr-6900000000-008f5bbf153219a535c4
Source of Spectrum NP-1-7098-0
Synonyms 1-Phenyl-2,4-pentadiyn-1-one 1-Phenyl-1-penta-2,4-diynone 1-Phenylpenta-2,4-diyn-1-one Butadiynyl phenyl ketone Demethylcapillin Demethylcapilline
Wiley ID 1099408