| SpectraBase Spectrum ID |
39zzai0icS |
| Name |
Isobutyl acetate |
| CAS Registry Number |
110-19-0 |
| 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 |
116.083729624 u |
| Formula |
C6H12O2 |
| 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/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 |
| InChIKey |
GJRQTCIYDGXPES-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Nominal Mass |
116 u |
| Number of Peaks |
23 |
| SMILES |
C(OC(C)=O)C(C)C |
| SPLASH |
splash10-0006-9000000000-d1d8e919ba28bb5d7ccd |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001779 |
