| SpectraBase Spectrum ID |
XiGRNLRE5a |
| Name |
2-Benzoylcyclooctane-1,4-dione |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H16O3 |
| InChI |
InChI=1S/C15H16O3/c16-12-8-4-5-9-14(17)13(10-12)15(18)11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2 |
| InChIKey |
DFBACFZYZKNQIN-UHFFFAOYSA-N |
| Instrument Name |
Simadzu GC-MS QP5050 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.176 |
| Molecular Weight |
244.290 g/mol |
| Reported Formula |
C15H16O3 |
| SMILES |
c1(ccccc1)C(=O)C1C(CCCCC(C1)=O)=O |
| SPLASH |
splash10-0a4i-0910000000-a615ca72bb9f7f569b2b |
| Source of Spectrum |
BJO-13-SM12-7a |
| Thin-Layer Chromatography |
Rf = 0.38 (hexane / EtOAc, 3:1) |
| Wiley ID |
1848250 |
