| SpectraBase Spectrum ID |
3XmD2BWMx3T |
| Name |
Ionone |
| CAS Registry Number |
79-69-6 |
| 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 |
206.167065327 u |
| Formula |
C14H22O |
| InChI |
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+ |
| InChIKey |
JZQOJFLIJNRDHK-CMDGGOBGSA-N |
| Molecular Weight |
206.329 g/mol |
| Number of Peaks |
50 |
| RI1 |
1511 |
| RI2 |
1188 |
| RI3 |
1343 |
| RI4 |
1303 |
| SMILES |
C1(CC=C(C(C1(C)C)\C=C\C(C)=O)C)C |
| SPLASH |
splash10-0006-9500000000-57efb6a063228986ecfa |
| 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 |
3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)- |
| Wiley ID |
LM_FFNSC3_1266 |
