| SpectraBase Spectrum ID |
L2Hv3uITIWV |
| Name |
Isoamyl isobutyrate |
| CAS Registry Number |
2050-01-3 |
| 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 |
158.130679818 u |
| Formula |
C9H18O2 |
| 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/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey |
VFTGLSWXJMRZNB-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Nominal Mass |
158 u |
| Number of Peaks |
36 |
| SMILES |
C(OCCC(C)C)(C(C)C)=O |
| SPLASH |
splash10-00dl-9000000000-1d9a1900563a4f7cb87f |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001773 |
