| SpectraBase Spectrum ID |
DANY4Za6Q4M |
| Name |
Ionone |
| CAS Registry Number |
31499-72-6 |
| 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 |
194.167065327 u |
| Formula |
C13H22O |
| 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/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3 |
| InChIKey |
JHJCHCSUEGPIGE-UHFFFAOYSA-N |
| Molecular Weight |
194.318 g/mol |
| Nominal Mass |
194 u |
| Number of Peaks |
95 |
| SMILES |
C(CC(C)=O)C1C(C)(C)CCC=C1C |
| SPLASH |
splash10-006x-9500000000-d8be0948f2fd220b5e14 |
| Source |
ex J J BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001762 |
