| SpectraBase Spectrum ID |
8F6d7Dx9aIC |
| Name |
Levulinic acid |
| CAS Registry Number |
123-76-2 |
| Classification |
Educt for nylons, synthetic rubbers, plastics and pharmaceuticals |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
116.047344115 u |
| Formula |
C5H8O3 |
| InChI |
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) |
| InChIKey |
JOOXCMJARBKPKM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
116.116 g/mol |
| Nominal Mass |
116 u |
| Quality |
980 |
| Retention Index |
786 |
| SMILES |
OC(CCC(=O)C)=O |
| SPLASH |
splash10-0006-9000000000-1a22f1ad4aa930b4ba39 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Oxovalerate
b-Acetylpropionic acid
g-Ketovaleric acid
4-Oxopentanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032044 |
