| SpectraBase Spectrum ID |
9C51csI7twK |
| Name |
Citronellyl isobutyrate |
| Source of Sample |
SAFC Cat.no. W231304 |
| CAS Registry Number |
97-89-2 |
| 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 |
226.193280075 u |
| Formula |
C14H26O2 |
| InChI |
InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3 |
| InChIKey |
ZGPPERKMXSGYRK-UHFFFAOYSA-N |
| Molecular Weight |
226.360 g/mol |
| Number of Peaks |
50 |
| RI1 |
1483 |
| RI2 |
1161 |
| RI3 |
1132 |
| RI4 |
1089 |
| RI5 |
1471 |
| SMILES |
C(C(C)C)(=O)OCCC(C)CCC=C(C)C |
| SPLASH |
splash10-00lv-9100000000-71e69080f2f6ee856267 |
| 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 |
Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester |
| Wiley ID |
LM_FFNSC3_929 |
