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1-Phenylheptan-1-one

View entire compound with spectra: 6 NMR, 5 FTIR, 1 Raman, and 7 MS (GC)

1-Phenylheptan-1-one
SpectraBase Compound ID 6zsre23EiB5
InChI InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey UXMQORVHJMUQFD-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 Hhy7MXDAcvc
Name 1-Phenylheptan-1-one
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.135765199 u
Formula C13H18O
InChI InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey UXMQORVHJMUQFD-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004840
Molecular Weight 190.286 g/mol
Quality 109
SMILES C=1C=CC=C(C(=O)CCCCCC)C1
SPLASH splash10-0ab9-1900000000-80754a4b3076553d56ad
Source of Spectrum QE-27-SM32-2d (DOI: 10.1002/chem.202004840)
Thin-Layer Chromatography 0.57 (petroleum ether/Et2O, 95:5)
Wiley ID 1902302