| SpectraBase Spectrum ID |
2nmjHRAEUSm |
| Name |
l-Alpha-amino-epsilon-caprolactam |
| CAS Registry Number |
21568-87-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
128.094963013 u |
| Formula |
C6H12N2O |
| InChI |
InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1 |
| InChIKey |
BOWUOGIPSRVRSJ-YFKPBYRVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
128.175 g/mol |
| Nominal Mass |
128 u |
| Quality |
985 |
| Retention Index |
1053 |
| SMILES |
N[C@@]1(C(NCCCC1)=O)[H] |
| SPLASH |
splash10-0a5c-9000000000-17eae9cc293734036a1f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Aminoazepan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023439 |
