| SpectraBase Spectrum ID |
LA6JcuKeqzO |
| Name |
Butan-2-one <3-mercapto-> |
| Source of Sample |
SAFC Cat.no. W329800 |
| CAS Registry Number |
40789-98-8 |
| 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 |
104.029586051 u |
| Formula |
C4H8OS |
| InChI |
InChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3 |
| InChIKey |
XLMPYCGSRHSSSX-UHFFFAOYSA-N |
| Molecular Weight |
104.167 g/mol |
| Number of Peaks |
45 |
| RI1 |
814 |
| RI2 |
470 |
| SMILES |
SC(C)C(C)=O |
| SPLASH |
splash10-01ox-9100000000-f5ed154d84de28df7d11 |
| 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 |
2-Butanone, 3-mercapto- |
| Wiley ID |
LM_FFNSC3_840 |
