| SpectraBase Spectrum ID |
8GVRCtf60fI |
| Name |
2-Phenylethanol |
| CAS Registry Number |
60-12-8 |
| Classification |
Choleretic |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
122.073164941 u |
| Formula |
C8H10O |
| InChI |
InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey |
WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
122.167 g/mol |
| Nominal Mass |
122 u |
| Quality |
987 |
| Retention Index |
1095 |
| SMILES |
OCCC1=CC=CC=C1 |
| SPLASH |
splash10-0006-9100000000-cc6614cc9353c4b671f2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004687 |
