| SpectraBase Spectrum ID |
9kvo0KpN6Q2 |
| Name |
Isobutyl hexanoate |
| CAS Registry Number |
105-79-3 |
| 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 |
172.146329882 u |
| Formula |
C10H20O2 |
| 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/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey |
UXUPPWPIGVTVQI-UHFFFAOYSA-N |
| Molecular Weight |
172.268 g/mol |
| Nominal Mass |
172 u |
| Number of Peaks |
57 |
| SMILES |
C(OCC(C)C)(CCCCC)=O |
| SPLASH |
splash10-052g-9100000000-449ec9264ade105536fd |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001783 |
