| SpectraBase Spectrum ID |
A8WcAHx7pDr |
| Name |
Caprolactam |
| CAS Registry Number |
105-60-2 |
| 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 |
113.084063977 u |
| Formula |
C6H11NO |
| InChI |
InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
| InChIKey |
JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
113.160 g/mol |
| Nominal Mass |
113 u |
| Quality |
720 |
| Retention Index |
920 |
| SMILES |
C1(NCCCCC1)=O |
| SPLASH |
splash10-0bt9-9300000000-c57f0fb16d23cb3c0cab |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Azepan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000431 |
