| SpectraBase Spectrum ID |
KhJCuYTVBCp |
| Name |
Propionate <3-mercapto-, ethyl-> |
| CAS Registry Number |
5466-06-8 |
| 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 |
134.040150734 u |
| Formula |
C5H10O2S |
| InChI |
InChI=1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3 |
| InChIKey |
CJQWLNNCQIHKHP-UHFFFAOYSA-N |
| Molecular Weight |
134.193 g/mol |
| Number of Peaks |
50 |
| RI1 |
1003 |
| RI2 |
673 |
| RI3 |
889 |
| RI4 |
844 |
| RI5 |
972 |
| SMILES |
SCCC(OCC)=O |
| SPLASH |
splash10-03dr-9100000000-5728fd5b6a396dbebd13 |
| 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-mercapto-, ethyl ester |
| Wiley ID |
LM_FFNSC3_74 |
