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 |