| SpectraBase Spectrum ID |
3AKbBfxUOW |
| Name |
Ionone<(E)-beta-> |
| CAS Registry Number |
79-77-6 |
| 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 |
192.151415263 u |
| Formula |
C13H20O |
| 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/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+ |
| InChIKey |
PSQYTAPXSHCGMF-BQYQJAHWSA-N |
| Molecular Weight |
192.302 g/mol |
| Nominal Mass |
192 u |
| Number of Peaks |
146 |
| SMILES |
C(\C=C\C=1C(C)(C)CCCC1C)(C)=O |
| SPLASH |
splash10-004l-5900000000-b8bb0caa0dc7703b398a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001766 |
