SpectraBase Spectrum ID |
77WQIzwrfLH |
Name |
Octanoic acid |
Source of Sample |
SAFC Cat.no. W279900 |
CAS Registry Number |
124-07-2 |
Comments |
Generally Recognized as Safe; NTIS Accession Number: PB254530 |
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 |
144.115029753 u |
Formula |
C8H16O2 |
InChI |
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) |
InChIKey |
WWZKQHOCKIZLMA-UHFFFAOYSA-N |
Molecular Weight |
144.214 g/mol |
Number of Peaks |
39 |
RI1 |
1192 |
RI2 |
870 |
RI3 |
1058 |
RI4 |
1014 |
RI5 |
1196 |
SMILES |
OC(CCCCCCC)=O |
SPLASH |
splash10-01vo-9000000000-e73c436c15bba6cf3ae0 |
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 |
Wiley ID |
LM_FFNSC3_652 |