| SpectraBase Spectrum ID |
LbOulHJN61b |
| Name |
Pineapple ketone |
| Source of Sample |
SAFC Cat.no. W317454 |
| CAS Registry Number |
3658-77-3 |
| 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 |
128.047344115 u |
| Formula |
C6H8O3 |
| InChI |
InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3 |
| InChIKey |
INAXVXBDKKUCGI-UHFFFAOYSA-N |
| Molecular Weight |
128.127 g/mol |
| Number of Peaks |
16 |
| RI1 |
1059 |
| RI2 |
732 |
| SMILES |
OC1=C(OC(C1=O)C)C |
| SPLASH |
splash10-054o-9200000000-b11611c5e6a8137da20b |
| 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 |
3(2H)-Furanone, 4-hydroxy-2,5-dimethyl- |
| Wiley ID |
LM_FFNSC3_507 |
