| SpectraBase Spectrum ID |
IXOCPdKNMUX |
| Name |
Isoamyl hexanoate |
| CAS Registry Number |
2198-61-0 |
| 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 |
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/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey |
XVSZRAWFCDHCBP-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| Nominal Mass |
186 u |
| Number of Peaks |
28 |
| SMILES |
CCCCCC(OCCC(C)C)=O |
| SPLASH |
splash10-006x-9000000000-18cb04f813d2e020c421 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001772 |
