| SpectraBase Compound ID | DJpefrbyvAw |
|---|---|
| InChI | InChI=1S/C7H13NO/c1-6-4-2-3-5-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1 |
| InChIKey | FGSUUFDRDVJCLT-LURJTMIESA-N |
| Mol Weight | 127.19 g/mol |
| Molecular Formula | C7H13NO |
| Exact Mass | 127.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JYxGHMH18LT |
|---|---|
| Name | (S)-3-Methylazepin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.099714042 u |
| Formula | C7H13NO |
| InChI | InChI=1S/C7H13NO/c1-6-4-2-3-5-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1 |
| InChIKey | FGSUUFDRDVJCLT-LURJTMIESA-N |
| Molecular Weight | 127.187 g/mol |
| SMILES | C1(NCCCC[C@@]1(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974556 |