| SpectraBase Spectrum ID |
I4zxANdOoJp |
| Name |
Acetoacetate |
| Source of Sample |
SAFC Cat.no. W241504 |
| CAS Registry Number |
141-97-9 |
| 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 |
130.062994179 u |
| Formula |
C6H10O3 |
| InChI |
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 |
| InChIKey |
XYIBRDXRRQCHLP-UHFFFAOYSA-N |
| Molecular Weight |
130.143 g/mol |
| Number of Peaks |
50 |
| RI1 |
934 |
| RI2 |
612 |
| RI3 |
863 |
| RI4 |
819 |
| RI5 |
919 |
| SMILES |
C(CC(=O)C)(=O)OCC |
| SPLASH |
splash10-0006-9000000000-ea7e36e60f7dc880cf42 |
| 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 |
Butanoic acid, 3-oxo-, ethyl ester |
| Wiley ID |
LM_FFNSC3_138 |
