| SpectraBase Spectrum ID |
MpE53nis91 |
| Name |
Ionone |
| CAS Registry Number |
79-78-7 |
| 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 |
232.182715392 u |
| Formula |
C16H24O |
| InChI |
InChI=1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+ |
| InChIKey |
FXCYGAGBPZQRJE-ZHACJKMWSA-N |
| Molecular Weight |
232.367 g/mol |
| Number of Peaks |
50 |
| RI1 |
1687 |
| RI2 |
1364 |
| RI3 |
1595 |
| RI4 |
1558 |
| SMILES |
C(=O)(CCC=C)\C=C\C1C(C)=CCCC1(C)C |
| SPLASH |
splash10-0006-9500000000-ecca78d4b5afbb27fff2 |
| 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 |
1,6-Heptadien-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- |
| Wiley ID |
LM_FFNSC3_189 |
