| SpectraBase Spectrum ID |
44l9kmZ2aet |
| Name |
Isobutyl (2E)-butenoate |
| CAS Registry Number |
589-66-2 |
| 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 |
142.099379689 u |
| Formula |
C8H14O2 |
| 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/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+ |
| InChIKey |
XDOWKOALJBOBBL-SNAWJCMRSA-N |
| Molecular Weight |
142.198 g/mol |
| Nominal Mass |
142 u |
| Number of Peaks |
43 |
| SMILES |
C\C=C\C(=O)OCC(C)C |
| SPLASH |
splash10-014i-9000000000-b2779a1398c894e1e9ee |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001778 |
