| SpectraBase Spectrum ID |
5VVe2baW1zM |
| Name |
Citronellyl acetate |
| CAS Registry Number |
150-84-5 |
| Classification |
Flavor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
198.161979946 u |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3 |
| InChIKey |
JOZKFWLRHCDGJA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
198.306 g/mol |
| Nominal Mass |
198 u |
| Quality |
956 |
| Retention Index |
1378 |
| SMILES |
C(OCCC(CCC=C(C)C)C)(=O)C |
| SPLASH |
splash10-00l6-9100000000-3a8fa4c35ef295da1ff7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,7-Dimethyloct-6-enyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018550 |
