| SpectraBase Spectrum ID |
8Im2G3dkzxY |
| Name |
Kavain |
| CAS Registry Number |
500-64-1 |
| Classification |
Pharmaceutical drug, tranquiliser |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
230.094294308 u |
| Formula |
C14H14O3 |
| InChI |
InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m1/s1 |
| InChIKey |
XEAQIWGXBXCYFX-ABZNLYFFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
230.263 g/mol |
| Nominal Mass |
230 u |
| Quality |
947 |
| Retention Index |
2215 |
| SMILES |
[C@@]1(CC(=CC(O1)=O)OC)(\C=C\C1=CC=CC=C1)[H] |
| SPLASH |
splash10-014m-9310000000-df877191f2137925c202 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methoxy-6-(2-phenylethenyl)-5,6-dihydropyran-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014154 |
