| SpectraBase Spectrum ID |
4OvDXR0xC5n |
| Name |
1-Phenyl-2-propanol |
| CAS Registry Number |
698-87-3 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
136.088815005 u |
| Formula |
C9H12O |
| InChI |
InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
| InChIKey |
WYTRYIUQUDTGSX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
136.194 g/mol |
| Nominal Mass |
136 u |
| Quality |
943 |
| Retention Index |
1116 |
| SMILES |
OC(CC=1C=CC=CC1)C |
| SPLASH |
splash10-0006-9000000000-61455bcd13b92ecd12df |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
alpha-Methylbenzeneethanol
1-Phenylpropan-2-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009870 |
