| SpectraBase Spectrum ID |
2mhqOs9rmbY |
| Name |
3-Methylbenzylamine |
| CAS Registry Number |
100-81-2 |
| 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 |
121.089149358 u |
| Formula |
C8H11N |
| InChI |
InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3 |
| InChIKey |
RGXUCUWVGKLACF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
121.183 g/mol |
| Nominal Mass |
121 u |
| Quality |
941 |
| Retention Index |
1113 |
| SMILES |
NCC1=CC(=CC=C1)C |
| SPLASH |
splash10-0zml-6900000000-6af2a960057007db891c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Methylbenzenemethanamine
(3-Methylphenyl)methanamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019839 |
