| SpectraBase Spectrum ID |
EFiKLrkmWFx |
| Name |
Propionate |
| Source of Sample |
SAFC Cat.no. W334308 |
| CAS Registry Number |
13327-56-5 |
| 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 |
148.055800798 u |
| Formula |
C6H12O2S |
| InChI |
InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3 |
| InChIKey |
YSNWHRKJEKWJNY-UHFFFAOYSA-N |
| Molecular Weight |
148.220 g/mol |
| Number of Peaks |
50 |
| RI1 |
1105 |
| RI2 |
780 |
| RI3 |
917 |
| RI4 |
874 |
| RI5 |
1077 |
| SMILES |
CCOC(CCSC)=O |
| SPLASH |
splash10-024j-9100000000-2681b2d9dd7cc6a1e03a |
| 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 |
Propanoic acid, 3-(methylthio)-, ethyl ester |
| Wiley ID |
LM_FFNSC3_89 |
