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3-Phenyl-4-heptanone

View entire compound with spectra: 1 MS (GC)

3-Phenyl-4-heptanone
SpectraBase Compound ID BHgtswFD5di
InChI InChI=1S/C13H18O/c1-3-8-13(14)12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKey HEJZCPGMMBMLLC-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8L3nJlniUq6
Name 3-Phenyl-4-heptanone
CAS Registry Number 58343-21-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-3-8-13(14)12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKey HEJZCPGMMBMLLC-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES C(C(c1ccccc1)CC)(=O)CCC
SPLASH splash10-00kf-0900000000-2900f80c70d47c3c4e6b
Source of Spectrum J-41-1706-0
Wiley ID 1186911