| SpectraBase Spectrum ID |
DmB9v8OUElM |
| Name |
1,2-Hexanediol |
| CAS Registry Number |
6920-22-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
118.099379689 u |
| Formula |
C6H14O2 |
| InChI |
InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3 |
| InChIKey |
FHKSXSQHXQEMOK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
118.176 g/mol |
| Nominal Mass |
118 u |
| Quality |
922 |
| Retention Index |
831 |
| SMILES |
OCC(CCCC)O |
| SPLASH |
splash10-014l-9000000000-4bb65c15436a89d0903b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018533 |
