| SpectraBase Spectrum ID |
2lHUDqckCXY |
| Name |
Linalyl acetate |
| CAS Registry Number |
115-95-7 |
| Classification |
Scent in perfumes, cosmetics, soaps and candles |
| 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1 |
| InChIKey |
UWKAYLJWKGQEPM-LBPRGKRZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
196.290 g/mol |
| Nominal Mass |
196 u |
| Quality |
1000 |
| Retention Index |
1366 |
| SMILES |
[C@](OC(=O)C)(CCC=C(C)C)(C=C)C |
| SPLASH |
splash10-0006-9000000000-90c20ede517705bbd506 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Bergamol
Linalol acetate
(3R)-3,7-dimethylocta-1,6-dien-3-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007537 |
