SpectraBase Spectrum ID |
B96fHsUz8J6 |
Name |
Octanoate <2-hydroxy, methyl-> |
CAS Registry Number |
73634-76-1 |
Classification |
Fatty esters; Fatty acid methyl esters |
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 |
174.125594437 u |
Formula |
C9H18O3 |
InChI |
InChI=1S/C9H18O3/c1-3-4-5-6-7-8(10)9(11)12-2/h8,10H,3-7H2,1-2H3 |
InChIKey |
FPELLQRUGGAXFI-UHFFFAOYSA-N |
Molecular Weight |
174.240 g/mol |
Number of Peaks |
97 |
RI2 |
1182 |
RI4 |
1226 |
RI5 |
905 |
SMILES |
OC(C(=O)OC)CCCCCC |
SPLASH |
splash10-0aos-9100000000-7a95bd84164a62acbdb1 |
Sample Comments |
RI1: measured on Equity-1 (Alkanes)
RI2: measured on Supelcowax-10 (FAMEs)
RI3: measured on Supelcowax-10 (FAEEs)
RI4: measured on SLB-5ms (Alkanes)
RI5: measured on SLB-5ms (FAMEs) |
Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
Synonyms |
Octanoic acid, 2-hydroxy-, methyl ester
Me. 2-OH C8:0 |
Wiley ID |
LM_LIPIDS2016_153 |