| SpectraBase Spectrum ID |
2npBU9TuTyK |
| Name |
5,6-Dehydrokavain |
| CAS Registry Number |
15345-89-8 |
| Classification |
Kavalactone |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
228.078644243 u |
| Formula |
C14H12O3 |
| InChI |
InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+ |
| InChIKey |
DKKJNZYHGRUXBS-BQYQJAHWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
228.247 g/mol |
| Nominal Mass |
228 u |
| Quality |
968 |
| Retention Index |
2298 |
| SMILES |
C1(=CC(=CC(O1)=O)OC)\C=C\C=1C=CC=CC1 |
| SPLASH |
splash10-004i-5960000000-13de675e040e4d46abc6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Desmethoxy-yangonin
4-Methoxy-6-styryl-2H-pyran-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019272 |
