| SpectraBase Spectrum ID |
DoM0GFqAjTs |
| Name |
Hexamethylenimine |
| CAS Registry Number |
111-49-9 |
| Classification |
Production of polymers |
| 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 |
99.104799423 u |
| Formula |
C6H13N |
| InChI |
InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2 |
| InChIKey |
ZSIQJIWKELUFRJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
99.177 g/mol |
| Nominal Mass |
99 u |
| Quality |
984 |
| Retention Index |
823 |
| SMILES |
C1NCCCCC1 |
| SPLASH |
splash10-0597-9000000000-e78c631f7092f38aa8b1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hexahydro-1H-azepine
Azepane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011616 |
