| SpectraBase Spectrum ID |
3BD59MMgGe |
| Name |
Butyl heptanoate |
| CAS Registry Number |
5454-28-4 |
| 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 |
186.161979946 u |
| Formula |
C11H22O2 |
| 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/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3 |
| InChIKey |
YPQSPODHFDGVAC-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| Nominal Mass |
186 u |
| Number of Peaks |
90 |
| SMILES |
CCCCCCC(OCCCC)=O |
| SPLASH |
splash10-0a4l-9200000000-7baa38b0ccba7d0fb667 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001465 |
