| SpectraBase Spectrum ID |
4rXX7zZN0lw |
| Name |
Isophytol |
| CAS Registry Number |
505-32-8 |
| 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 |
296.307915907 u |
| Formula |
C20H40O |
| 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/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3 |
| InChIKey |
KEVYVLWNCKMXJX-UHFFFAOYSA-N |
| Molecular Weight |
296.539 g/mol |
| Nominal Mass |
296 u |
| Number of Peaks |
87 |
| SMILES |
OC(CCCC(CCCC(CCCC(C)C)C)C)(C)C=C |
| SPLASH |
splash10-00dl-9000000000-26e0ab05a2d6c23e01af |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002189 |
