| SpectraBase Spectrum ID |
Bjfb4t9iSXE |
| Name |
Octanoic acid <4-ethyl-> |
| Source of Sample |
SAFC Cat.no. W380008 |
| CAS Registry Number |
16493-80-4 |
| 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 |
172.146329882 u |
| Formula |
C10H20O2 |
| InChI |
InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) |
| InChIKey |
PWKJMPFEQOHBAC-UHFFFAOYSA-N |
| Molecular Weight |
172.268 g/mol |
| Number of Peaks |
50 |
| RI1 |
1352 |
| RI2 |
1030 |
| RI3 |
1549 |
| RI4 |
1510 |
| RI5 |
1360 |
| SMILES |
OC(CCC(CCCC)CC)=O |
| SPLASH |
splash10-0abc-9100000000-771d2f7603546d5fe020 |
| 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 |
Octanoic acid, 4-ethyl- |
| Wiley ID |
LM_FFNSC3_108 |
