| SpectraBase Spectrum ID |
8GnzeacwarA |
| Name |
(6S,9R)-6-Hydroxy-3-oxo-a-ionol |
| CAS Registry Number |
34318-21-3 |
| Classification |
Ingredient of tobacco smoke |
| 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 |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+ |
| InChIKey |
MDCGEAGEQVMWPE-AATRIKPKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.301 g/mol |
| Nominal Mass |
208 u |
| Quality |
989 |
| Retention Index |
1496 |
| SMILES |
OC(\C=C\C1C(CC(C=C1C)=O)(C)C)C |
| SPLASH |
splash10-0a4i-5900000000-ba6aeedc592904b3cefc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Cyclohexen-1-one,4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl
(6S,9R)-Vomifoliol
4-[(1E)-3-Hydroxy-1-buten-1-yl]-3,5,5-trimethyl-2-cyclohexen-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023826 |
