| SpectraBase Spectrum ID |
2sySYSuS1wk |
| Name |
Isobutyl isobutyrate |
| CAS Registry Number |
97-85-8 |
| 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 |
144.115029753 u |
| Formula |
C8H16O2 |
| 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/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3 |
| InChIKey |
RXGUIWHIADMCFC-UHFFFAOYSA-N |
| Molecular Weight |
144.214 g/mol |
| Nominal Mass |
144 u |
| Number of Peaks |
32 |
| SMILES |
C(OCC(C)C)(C(C)C)=O |
| SPLASH |
splash10-0596-9000000000-4e9def84a864c23ea794 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001784 |
