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1-Phenyl-1-pentadecen-3-yn-5-one

View entire compound with spectra: 1 MS (GC)

1-Phenyl-1-pentadecen-3-yn-5-one
SpectraBase Compound ID Kw7fJmc1uvD
InChI InChI=1S/C21H28O/c1-2-3-4-5-6-7-8-12-18-21(22)19-14-13-17-20-15-10-9-11-16-20/h9-11,13,15-17H,2-8,12,18H2,1H3/b17-13-
InChIKey AYNSSJIOKUBMNO-LGMDPLHJSA-N
Mol Weight 296.45 g/mol
Molecular Formula C21H28O
Exact Mass 296.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGqNZSlen1G
Name 1-Phenyl-1-pentadecen-3-yn-5-one
Alternate Name(s) (1Z)-1-phenyl-1-pentadecen-3-yn-5-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O
InChI InChI=1S/C21H28O/c1-2-3-4-5-6-7-8-12-18-21(22)19-14-13-17-20-15-10-9-11-16-20/h9-11,13,15-17H,2-8,12,18H2,1H3/b17-13-
InChIKey AYNSSJIOKUBMNO-LGMDPLHJSA-N
Molecular Weight 296.454 g/mol
SMILES C(#CC(=O)CCCCCCCCCC)\C=C/c1ccccc1
SPLASH splash10-004i-0900000000-6eddf3679f2d4856a003
Source of Spectrum J-62-8203-9
Wiley ID 1299755