| SpectraBase Spectrum ID |
2k2RaJO13dP |
| Name |
Ionone |
| CAS Registry Number |
101325-32-0 |
| 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 |
206.167065327 u |
| Formula |
C14H22O |
| 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/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11,13H,1,6-7H2,2-5H3/b9-8+/t11-,13+/m0/s1 |
| InChIKey |
MVPDTCQYNRKWJA-MDQMCFMNSA-N |
| Molecular Weight |
206.329 g/mol |
| Nominal Mass |
206 u |
| Number of Peaks |
143 |
| SMILES |
[C@]1(CCC([C@](C1(C)C)(\C=C\C(C)=O)[H])=C)(C)[H] |
| SPLASH |
splash10-0k9l-5900000000-39a495d00be718d9750a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000717 |
