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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 1vrnHOBTTCS
Name 1-Heptanone, 1-phenyl-
CAS Registry Number 1671-75-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 190.286 g/mol
SMILES C(CCCCCC)(=O)c1ccccc1
SPLASH splash10-05dl-4900000000-806e946ce1889189b307
Source of Spectrum AJ-75-1342-0
Synonyms Heptanophenone 1-Phenyl-1-heptanone 1-Phenylheptan-1-one n-Heptanophenone
Wiley ID 1577060