| SpectraBase Spectrum ID |
JFIEMLUG22y |
| Name |
3-Hexen-1-ol acetate |
| CAS Registry Number |
3681-82-1 |
| Classification |
Chemical |
| 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 |
156.115029753 u |
| Formula |
C9H16O2 |
| InChI |
InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+ |
| InChIKey |
LGTLDEUQCOJGFP-AATRIKPKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
156.225 g/mol |
| Nominal Mass |
156 u |
| Quality |
1000 |
| Retention Index |
1078 |
| SMILES |
C(OCC\C=C\CC)(CC)=O |
| SPLASH |
splash10-00kf-9000000000-27bb3dcc9b3a968f1b06 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hex-3-en-1-yl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024775 |
