| SpectraBase Spectrum ID |
8FTmXLD2eX2 |
| Name |
Dihydromethysticin |
| CAS Registry Number |
19902-91-1 |
| Classification |
Kavalactone |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
276.099773610 u |
| Formula |
C15H16O5 |
| InChI |
InChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3 |
| InChIKey |
RSIWXFIBHXYNFM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
276.288 g/mol |
| Nominal Mass |
276 u |
| Quality |
916 |
| SMILES |
C1=2C(=CC=C(C2)CCC2CC(=CC(O2)=O)OC)OCO1 |
| SPLASH |
splash10-002r-2910000000-485c11b040e9ddc6f884 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-(2-(1,3-benzodioxol-5-yl)ethyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034277 |
