| SpectraBase Spectrum ID |
2nk03f6Pyr2 |
| Name |
N-Acetylcaprolactam |
| CAS Registry Number |
1888-91-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
155.094628661 u |
| Formula |
C8H13NO2 |
| InChI |
InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3 |
| InChIKey |
QISSLHPKTCLLDL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
155.197 g/mol |
| Nominal Mass |
155 u |
| Quality |
960 |
| Retention Index |
1179 |
| SMILES |
C1(N(CCCCC1)C(=O)C)=O |
| SPLASH |
splash10-0006-9100000000-6ed5df5817fda434bde5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-acetylazepan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006945 |
