| SpectraBase Spectrum ID |
JHP4Anyh50a |
| Name |
Neryl acetate |
| CAS Registry Number |
141-12-8 |
| Classification |
Flavor, fragrance |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8- |
| InChIKey |
HIGQPQRQIQDZMP-FLIBITNWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
196.290 g/mol |
| Nominal Mass |
196 u |
| Quality |
994 |
| Retention Index |
1366 |
| SMILES |
C(=CCC\C(=C/COC(=O)C)C)(C)C |
| SPLASH |
splash10-014l-9100000000-e1eb424382b6a719b22f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,7-Dimethyl-(Z)-2,6-octadien-1-ol acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006977 |
