| SpectraBase Compound ID | 22KGRobrxfa |
|---|---|
| InChI | InChI=1S/C7H13NO/c9-7-8-5-3-1-2-4-6-8/h7H,1-6H2 |
| InChIKey | AIPVTTKYSPOWFO-UHFFFAOYSA-N |
| Mol Weight | 127.19 g/mol |
| Molecular Formula | C7H13NO |
| Exact Mass | 127.099714 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BeiBICQxlF3 |
|---|---|
| Name | Hexahydro-1H-azepine-1-carboxaldehyde |
| 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/c9-7-8-5-3-1-2-4-6-8/h7H,1-6H2 |
| InChIKey | AIPVTTKYSPOWFO-UHFFFAOYSA-N |
| Molecular Weight | 127.187 g/mol |
| SMILES | C1CCCN(CC1)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.948962 |