| SpectraBase Spectrum ID |
5hlWUWtnsQC |
| Name |
Propanoate |
| CAS Registry Number |
554-12-1 |
| 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 |
88.052429496 u |
| Formula |
C4H8O2 |
| InChI |
InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3 |
| InChIKey |
RJUFJBKOKNCXHH-UHFFFAOYSA-N |
| Molecular Weight |
88.106 g/mol |
| Number of Peaks |
29 |
| RI2 |
522 |
| RI4 |
779 |
| RI5 |
300 |
| SMILES |
C(CC)(=O)OC |
| SPLASH |
splash10-0a4i-9000000000-36ee5e14a8a11cf232e8 |
| 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 |
Propanoic acid, methyl ester
Me. C3:0 |
| Wiley ID |
LM_LIPIDS2016_147 |
