Heptanophenone
1817
Reference
Heptanophenone Structure
Systematic / IUPAC Name: 1-Phenyl-1-heptanone
ID: Reference1817
Other Names:
1-Phenylheptan-1-one;
1-Heptanone, 1-phenyl-;
n-Heptanophenone
Formula: C13H18O
Spectral Data
Heptanophenone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 73 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/23/2014 4:07:06 PM |
Identificators
| 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 |
| InChI Key | UXMQORVHJMUQFD-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCC(=O)C1=CC=CC=C1 |
| CAS | 1671756 |
| Splash | |
| Other Names |
1-Phenylheptan-1-one; 1-Heptanone, 1-phenyl-; n-Heptanophenone |