SpectraBase Spectrum ID |
JHXV3oGN8Iy |
Name |
1,2-Octanediol |
CAS Registry Number |
1117-86-8 |
Classification |
Chemical |
Comments |
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 |
964 |
Retention Index |
1002 |
SMILES |
OCC(CCCCCC)O |
SPLASH |
splash10-0a4j-9000000000-bec9a693a82182e46695 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1,2-Dihydroxyoctane |
Technique |
GC/MS |
Wiley ID |
DD2024_029667 |