| SpectraBase Spectrum ID |
3UfeCoi6HA |
| Name |
Phenyl pentan-3-one<1-> |
| CAS Registry Number |
20795-51-1 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
162.104465070 u |
| Formula |
C11H14O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C11H14O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey |
GLVAUXMKXKUEEA-UHFFFAOYSA-N |
| Molecular Weight |
162.232 g/mol |
| Nominal Mass |
162 u |
| Number of Peaks |
98 |
| SMILES |
c1cccc(c1)CCC(CC)=O |
| SPLASH |
splash10-0a4l-9600000000-78f55cf929a08aad290a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001109 |
