SpectraBase Spectrum ID |
B3e5nEmoKas |
Name |
3-Fluorobenzylamine |
CAS Registry Number |
100-82-3 |
Classification |
Chemical |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
125.064077425 u |
Formula |
C7H8FN |
InChI |
InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 |
InChIKey |
QVSVMNXRLWSNGS-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
125.146 g/mol |
Nominal Mass |
125 u |
Quality |
921 |
Retention Index |
1251 |
SMILES |
NCC=1C=C(C=CC1)F |
SPLASH |
splash10-05is-9600000000-776807e43a2b4f21f2f8 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
3-Fluorobenzenemethanamine
(3-Fluorophenyl)methanamine |
Technique |
GC/MS |
Wiley ID |
DD2024_007032 |