| SpectraBase Compound ID | JYNM6gAC7L9 |
|---|---|
| InChI | InChI=1S/C6H9Cl2NO/c7-6(8)3-1-2-4-9-5(6)10/h1-4H2,(H,9,10) |
| InChIKey | YBOFMSCOQHPFRN-UHFFFAOYSA-N |
| Mol Weight | 182.05 g/mol |
| Molecular Formula | C6H9Cl2NO |
| Exact Mass | 181.006119 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1Vngtm0RKB4 |
|---|---|
| Name | 3,3-Dichlorohexahydro-2H-azepine-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.006119313 u |
| Formula | C6H9Cl2NO |
| InChI | InChI=1S/C6H9Cl2NO/c7-6(8)3-1-2-4-9-5(6)10/h1-4H2,(H,9,10) |
| InChIKey | YBOFMSCOQHPFRN-UHFFFAOYSA-N |
| Molecular Weight | 182.050 g/mol |
| SMILES | N1C(C(CCCC1)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.984364 |