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1-Phenylhex-2-yn-1-one

View entire compound with spectra: 1 MS (GC)

1-Phenylhex-2-yn-1-one
SpectraBase Compound ID 1cZmG1wuLxs
InChI InChI=1S/C12H12O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3H2,1H3
InChIKey IOUIWIFEDRBDCH-UHFFFAOYSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Imd0dNCJmMm
Name 1-Phenylhex-2-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3H2,1H3
InChIKey IOUIWIFEDRBDCH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol102993y
Molecular Weight 172.227 g/mol
SMILES C(C(=O)c1ccccc1)#CCCC
SPLASH splash10-00mo-0900000000-1ba641904a6c49b1c37a
Source of Spectrum A1-13-944/SMS8-3ac
Synonyms 1-Phenyl-2-hexyn-1-one
Wiley ID 1752748