| SpectraBase Spectrum ID |
EJgr7Bj0QqW |
| Name |
Phenyl propyl isobutanote<2-> |
| CAS Registry Number |
65813-53-8 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| 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/C13H18O2/c1-10(2)13(14)15-9-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 |
| InChIKey |
LZTCJUAHYXNKRE-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Number of Peaks |
68 |
| SMILES |
CC(C(OCC(C)c1ccccc1)=O)C |
| SPLASH |
splash10-00kf-9600000000-fb992e3792ba8fa75858 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001112 |
