| SpectraBase Spectrum ID |
1VHDJsPX6G |
| Name |
Citronellol isobutanoate |
| CAS Registry Number |
97-89-2 |
| 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 |
226.193280075 u |
| Formula |
C14H26O2 |
| 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/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3 |
| InChIKey |
ZGPPERKMXSGYRK-UHFFFAOYSA-N |
| Molecular Weight |
226.360 g/mol |
| Nominal Mass |
226 u |
| Number of Peaks |
85 |
| SMILES |
C(CC(C)CCC=C(C)C)OC(C(C)C)=O |
| SPLASH |
splash10-00l6-9100000000-1fa996423292d19633d4 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001491 |
