| SpectraBase Spectrum ID |
JGrH2FcAc9A |
| Name |
Hexylene glycol |
| CAS Registry Number |
107-41-5 |
| Classification |
Solvent |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
118.099379689 u |
| Formula |
C6H14O2 |
| InChI |
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 |
| InChIKey |
SVTBMSDMJJWYQN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
118.176 g/mol |
| Nominal Mass |
118 u |
| Quality |
813 |
| Retention Index |
802 |
| SMILES |
OC(CC(O)(C)C)C |
| SPLASH |
splash10-052f-9000000000-94a6fa710003454c1ca5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Diolane
Pinakon
2-Methylpentane-2,4-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009156 |
