| SpectraBase Compound ID | 3NTuk2Jxg8O |
|---|---|
| InChI | InChI=1S/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12) |
| InChIKey | HRVRAYIYXRVAPR-UHFFFAOYSA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C10H11NO |
| Exact Mass | 161.084064 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3mnWuvSHoFF |
|---|---|
| Name | 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.084063977 u |
| Formula | C10H11NO |
| InChI | InChI=1S/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12) |
| InChIKey | HRVRAYIYXRVAPR-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | N1C=2C=CC=CC2CCCC1=O |
| Spectrum/Structure Validation Score (Raman) | 0.903097 |