| SpectraBase Spectrum ID |
2llTAVyHtia |
| Name |
1,2-Octanediol |
| CAS Registry Number |
1117-86-8 |
| Classification |
Chemical |
| 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 |
146.130679818 u |
| Formula |
C8H18O2 |
| InChI |
InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3 |
| InChIKey |
AEIJTFQOBWATKX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
146.230 g/mol |
| Nominal Mass |
146 u |
| Quality |
1000 |
| Retention Index |
1002 |
| SMILES |
OCC(CCCCCC)O |
| SPLASH |
splash10-0a4j-9000000000-e3c7608a9582f26cb64b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,2-Dihydroxyoctane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029187 |
