| SpectraBase Spectrum ID |
GmeMUweFzaZ |
| Name |
Octanoic acid <4-methyl-> |
| Source of Sample |
SAFC Cat.no. W357502 |
| CAS Registry Number |
54947-74-9 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11) |
| InChIKey |
LEGGANXCVQPIAI-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Number of Peaks |
50 |
| RI1 |
1269 |
| RI2 |
947 |
| SMILES |
OC(CCC(CCCC)C)=O |
| SPLASH |
splash10-0abc-9000000000-c00f78a8e978a904a7de |
| 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-methyl- |
| Wiley ID |
LM_FFNSC3_802 |
