| SpectraBase Spectrum ID |
4Ol22DuVJlH |
| Name |
Levulinate |
| Source of Sample |
SAFC Cat.no. W220701 |
| CAS Registry Number |
2052-15-5 |
| 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 |
172.109944372 u |
| Formula |
C9H16O3 |
| InChI |
InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3 |
| InChIKey |
ISBWNEKJSSLXOD-UHFFFAOYSA-N |
| Molecular Weight |
172.224 g/mol |
| Number of Peaks |
50 |
| RI1 |
1258 |
| RI2 |
936 |
| RI3 |
1180 |
| RI4 |
1139 |
| RI5 |
1223 |
| SMILES |
C(CCC(=O)C)(=O)OCCCC |
| SPLASH |
splash10-006y-9100000000-b8bd5dc92b4672b1822a |
| 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 |
Pentanoic acid, 4-oxo-, butyl ester |
| Wiley ID |
LM_FFNSC3_39 |
