| SpectraBase Spectrum ID |
5ZijvEv70Vc |
| Name |
1,2-Heptanediol |
| CAS Registry Number |
3710-31-4 |
| Classification |
Chemical |
| 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 |
862 |
| Retention Index |
1002 |
| SMILES |
OCC(CCCCCC)O |
| SPLASH |
splash10-0a5c-9000000000-6fb749248f4a5270a458 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
octane-1,2-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004674 |
