| SpectraBase Spectrum ID |
2fWlFF9LPM |
| Name |
Phenyl propyl butanoate<2-> |
| CAS Registry Number |
80866-83-7 |
| 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 |
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/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3 |
| InChIKey |
SKLXPNZDCBPHCS-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Number of Peaks |
69 |
| SMILES |
c1ccccc1C(C)COC(CCC)=O |
| SPLASH |
splash10-01bc-9600000000-59827cc1731751fc96d1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001111 |
