| SpectraBase Spectrum ID |
JJcXj4HsMOu |
| Name |
Phenethylamine |
| CAS Registry Number |
64-04-0 |
| Classification |
Phenethylamine designer drug |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
121.089149358 u |
| Formula |
C8H11N |
| InChI |
InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2 |
| InChIKey |
BHHGXPLMPWCGHP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
121.183 g/mol |
| Nominal Mass |
121 u |
| Quality |
973 |
| Retention Index |
1111 |
| SMILES |
NCCC1=CC=CC=C1 |
| SPLASH |
splash10-001i-9000000000-28e9c09ad522c3444b91 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzeneethaneamine
PEA
2-Phenylethanamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021994 |
