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1-Phenylheptane-1,5-dione
SpectraBase Compound ID GM3FX7kmDSx
InChI InChI=1S/C13H16O2/c1-2-12(14)9-6-10-13(15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey QBWSVZLAABDSMD-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 Hy05ZrNKlXf
Name 1-Phenylheptane-1,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-2-12(14)9-6-10-13(15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey QBWSVZLAABDSMD-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C(CCCC(CC)=O)(=O)c1ccccc1
SPLASH splash10-0a4i-2900000000-2d36881c8cae58867819
Source of Spectrum X2-56-1183-1
Wiley ID 1604987