| SpectraBase Spectrum ID |
1qCK3WPFOS |
| Name |
Buten-1-ol acetate<3-methyl-2-> |
| CAS Registry Number |
1191-16-8 |
| 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 |
128.083729624 u |
| Formula |
C7H12O2 |
| 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/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3 |
| InChIKey |
XXIKYCPRDXIMQM-UHFFFAOYSA-N |
| Molecular Weight |
128.171 g/mol |
| Nominal Mass |
128 u |
| Number of Peaks |
39 |
| SMILES |
C(COC(C)=O)=C(C)C |
| SPLASH |
splash10-00kf-9000000000-76c540ebfcfd797dbe52 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001457 |
