| SpectraBase Spectrum ID |
7657vVStWEf |
| Name |
ethyl (6E)-5-hydroxy-2,6-dimethyl-3-oxo-octa-4,6-dienoate |
| Appearance |
Yellow oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-5-8(3)10(13)7-11(14)9(4)12(15)16-6-2/h5,7,9,13H,6H2,1-4H3/b8-5+,10-7? |
| InChIKey |
QHCVWCVDQHRDAZ-JPNFYNMCSA-N |
| Inlet Type |
Split injector |
| Instrument Name |
HP 7890B-5977A inert mass detector |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800621 |
| Molecular Weight |
226.272 g/mol |
| Quality |
284 |
| Reported Formula |
C12H18O4 |
| SMILES |
OC(=CC(C(C(OCC)=O)C)=O)\C(=C\C)C |
| SPLASH |
splash10-03fr-4590000000-c611209e64660b9ae744 |
| Source of Spectrum |
K1-2018-3149-11 (DOI: 10.1002/ejoc.201800621) |
| Thin-Layer Chromatography |
0.50 (hexane/EtOAc, 5:1) |
| Wiley ID |
1894068 |
