| SpectraBase Spectrum ID |
BUAKU6QhAjn |
| Name |
Ionone |
| CAS Registry Number |
93302-56-8 |
| 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 |
206.167065327 u |
| Formula |
C14H22O |
| InChI |
InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+ |
| InChIKey |
VPKMGDRERYMTJX-CMDGGOBGSA-N |
| Molecular Weight |
206.329 g/mol |
| Number of Peaks |
50 |
| RI1 |
1512 |
| RI2 |
1197 |
| RI3 |
1301 |
| RI4 |
1261 |
| SMILES |
C=1CCC(C(C1C)\C=C\C(CC)=O)(C)C |
| SPLASH |
splash10-006x-9600000000-b473dc88dfc8d193987c |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (1E)- |
| Wiley ID |
LM_FFNSC3_1468 |
