| SpectraBase Spectrum ID |
Jb7ZhkTKywt |
| Name |
Citronellate |
| CAS Registry Number |
2270-60-2 |
| 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 |
184.146329882 u |
| Formula |
C11H20O2 |
| InChI |
InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3 |
| InChIKey |
ZFLPOPCZMXGUOJ-UHFFFAOYSA-N |
| Molecular Weight |
184.279 g/mol |
| Number of Peaks |
50 |
| RI1 |
1257 |
| RI2 |
935 |
| SMILES |
C(OC)(CC(CCC=C(C)C)C)=O |
| SPLASH |
splash10-066v-9200000000-0398a90b6da42ee25baf |
| 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 |
6-Octenoic acid, 3,7-dimethyl-, methyl ester |
| Wiley ID |
LM_FFNSC3_1523 |
