| SpectraBase Spectrum ID |
7xxcOwzWVdU |
| Name |
3-Mercapto-2-methylpentanal isomer I |
| CAS Registry Number |
227456-28-2 |
| 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 |
132.060886179 u |
| Formula |
C6H12OS |
| InChI |
InChI=1S/C6H12OS/c1-3-6(8)5(2)4-7/h4-6,8H,3H2,1-2H3 |
| InChIKey |
FSAGSGCELJTQFN-UHFFFAOYSA-N |
| Molecular Weight |
132.221 g/mol |
| Number of Peaks |
50 |
| RI1 |
1027 |
| RI2 |
698 |
| RI5 |
991 |
| SMILES |
SC(C(C=O)C)CC |
| SPLASH |
splash10-0596-9000000000-370cfcff02d29c7cdb0f |
| 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 |
Pentanal, 3-mercapto-2-methyl- |
| Wiley ID |
LM_FFNSC3_3103 |
