| SpectraBase Spectrum ID |
3pQbtkY2me |
| Name |
Butyl pentanoate |
| CAS Registry Number |
591-68-4 |
| 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 |
158.130679818 u |
| Formula |
C9H18O2 |
| 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/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3 |
| InChIKey |
OKJADYKTJJGKDX-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Nominal Mass |
158 u |
| Number of Peaks |
68 |
| SMILES |
CCCCC(OCCCC)=O |
| SPLASH |
splash10-0a4l-9100000000-c789ba148f7752f2b59a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001468 |
