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1-Phenylheptane-1,2-dione
SpectraBase Compound ID BshL9rZfzQO
InChI InChI=1S/C13H16O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChIKey BEBNXVWFUWXUIB-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9HYv3pFszd
Name 1-Phenylheptane-1,2-dione
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChIKey BEBNXVWFUWXUIB-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000795
Molecular Weight 204.269 g/mol
SMILES c1(ccccc1)C(C(CCCCC)=O)=O
SPLASH splash10-0a4i-1900000000-68c6ec8cbce47c6b8339
Source of Spectrum U1-2020-SM6-2m
Wiley ID 1860887