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7-Hydroxy-7-phenylheptane-2,5-dione

View entire compound with spectra: 1 MS (GC)

7-Hydroxy-7-phenylheptane-2,5-dione
SpectraBase Compound ID 2Qcs2h9M358
InChI InChI=1S/C13H16O3/c1-10(14)7-8-12(15)9-13(16)11-5-3-2-4-6-11/h2-6,13,16H,7-9H2,1H3
InChIKey VTVHRQHUALQOGJ-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADVuoMcckb5
Name 7-Hydroxy-7-phenylheptane-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10(14)7-8-12(15)9-13(16)11-5-3-2-4-6-11/h2-6,13,16H,7-9H2,1H3
InChIKey VTVHRQHUALQOGJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201100800
Molecular Weight 220.268 g/mol
SMILES OC(CC(CCC(C)=O)=O)c1ccccc1
SPLASH splash10-0kbf-9300000000-9b72f7e610b2a1df0980
Source of Spectrum ASC-354-863/SM12-11g
Wiley ID 1762967