| SpectraBase Spectrum ID |
4mOOQ1Wi0Bj |
| Name |
Acetoin |
| Source of Sample |
SAFC Cat.no. W200603 |
| CAS Registry Number |
513-86-0 |
| 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 |
88.052429496 u |
| Formula |
C4H8O2 |
| InChI |
InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3 |
| InChIKey |
ROWKJAVDOGWPAT-UHFFFAOYSA-N |
| Molecular Weight |
88.106 g/mol |
| Number of Peaks |
27 |
| RI1 |
716 |
| RI2 |
400 |
| SMILES |
OC(C(C)=O)C |
| SPLASH |
splash10-0005-9000000000-50224e0056658e9c2569 |
| 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-hydroxy- |
| Wiley ID |
LM_FFNSC3_858 |
