| SpectraBase Spectrum ID |
Eb9fRWe7srR |
| Name |
Acetonylacetone |
| CAS Registry Number |
110-13-4 |
| 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 |
114.068079560 u |
| Formula |
C6H10O2 |
| InChI |
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3 |
| InChIKey |
OJVAMHKKJGICOG-UHFFFAOYSA-N |
| Molecular Weight |
114.144 g/mol |
| Number of Peaks |
49 |
| RI1 |
923 |
| RI2 |
601 |
| RI3 |
904 |
| RI4 |
861 |
| SMILES |
CC(CCC(C)=O)=O |
| SPLASH |
splash10-0006-9000000000-d2ff953baf2d7a0e070b |
| 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 |
2,5-Hexanedione |
| Wiley ID |
LM_FFNSC3_1912 |
