| SpectraBase Spectrum ID |
2m6e2shDAqu |
| Name |
Homovanillyl alcohol |
| CAS Registry Number |
2380-78-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
168.078644243 u |
| Formula |
C9H12O3 |
| InChI |
InChI=1S/C9H12O3/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,10-11H,4-5H2,1H3 |
| InChIKey |
PPUFZEKAOXNVLU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
168.192 g/mol |
| Nominal Mass |
168 u |
| Quality |
829 |
| Retention Index |
1212 |
| SMILES |
OCCC1=CC=C(C(=C1)O)OC |
| SPLASH |
splash10-000i-2900000000-af0a82ef218d3c300bef |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(2-Hydroxyethyl)guaiacol
4-Hydroxy-3-methoxyphenethyl alcohol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001622 |
