| SpectraBase Spectrum ID |
LZUkLW9BPzT |
| 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 |
| 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+/m1/s1 |
| InChIKey |
MVPDTCQYNRKWJA-UZPJXDOOSA-N |
| Molecular Weight |
206.329 g/mol |
| Number of Peaks |
50 |
| RI1 |
1481 |
| RI5 |
1503 |
| SMILES |
[C@@]1(C([C@](C)(CCC1=C)[H])(C)C)(\C=C\C(=O)C)[H] |
| SPLASH |
splash10-0f7c-5900000000-02ab9de063c9c09696c2 |
| 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-[(1R,3S) 2,2,3-dimethyl-6-methylenecyclohexyl]- |
| Wiley ID |
LM_FFNSC3_2090 |
