| SpectraBase Spectrum ID |
GnAFQ3Qmiq0 |
| Name |
Mercaptoacetone |
| CAS Registry Number |
24653-75-6 |
| 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 |
90.013935986 u |
| Formula |
C3H6OS |
| InChI |
InChI=1S/C3H6OS/c1-3(4)2-5/h5H,2H2,1H3 |
| InChIKey |
USVCRBGYQRVTNK-UHFFFAOYSA-N |
| Molecular Weight |
90.140 g/mol |
| Number of Peaks |
47 |
| RI1 |
791 |
| RI2 |
448 |
| RI3 |
755 |
| RI4 |
706 |
| RI5 |
747 |
| SMILES |
SCC(C)=O |
| SPLASH |
splash10-0006-9000000000-c2f4d77dc8d5b114da3a |
| 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-Propanone, 1-mercapto- |
| Wiley ID |
LM_FFNSC3_3213 |
