| SpectraBase Spectrum ID |
3CFMb8I1tes |
| Name |
Isoamyl octanoate |
| CAS Registry Number |
2035-99-6 |
| 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 |
214.193280075 u |
| Formula |
C13H26O2 |
| 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/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey |
XKWSWANXMRXDES-UHFFFAOYSA-N |
| Molecular Weight |
214.349 g/mol |
| Nominal Mass |
214 u |
| Number of Peaks |
76 |
| SMILES |
CCCCCCCC(OCCC(C)C)=O |
| SPLASH |
splash10-0596-9100000000-2cbe6159b4450bb2bf65 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001775 |
