SpectraBase Spectrum ID |
8Ix411XfIJs |
Name |
1-Phenylethanamine |
CAS Registry Number |
618-36-0 |
Classification |
Chemical |
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 |
121.089149358 u |
Formula |
C8H11N |
InChI |
InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3 |
InChIKey |
RQEUFEKYXDPUSK-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
121.183 g/mol |
Nominal Mass |
121 u |
Quality |
974 |
Retention Index |
1028 |
SMILES |
NC(C=1C=CC=CC1)C |
SPLASH |
splash10-0a4i-9700000000-513822b6ff32877e9d92 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-Phenethylamine
1-Phenylethylamine
alpha-Methylbenzylamine
alpha-Phenethylamine
1-Phenylethan-1-amine |
Technique |
GC/MS |
Wiley ID |
DD2024_003588 |