![2,3,6,7-tetrahydro-1H-cyclopenta[b]azepin-8-one](/api/spectrum/6g6kZCwiVl2/structure.png?h=300&w=458 "2,3,6,7-tetrahydro-1H-cyclopenta[b]azepin-8-one")
| SpectraBase Compound ID | FdB2VPQvQ2m |
|---|---|
| InChI | InChI=1S/C9H11NO/c11-8-5-4-7-3-1-2-6-10-9(7)8/h1,3,10H,2,4-6H2 |
| InChIKey | HGKSXIDVUZUHNI-UHFFFAOYSA-N |
| Mol Weight | 149.19 g/mol |
| Molecular Formula | C9H11NO |
| Exact Mass | 149.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6g6kZCwiVl2 |
|---|---|
| Name | 2,3,6,7-Tetrahydro-1H-cyclopenta[B]azepin-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.084063977 u |
| Formula | C9H11NO |
| InChI | InChI=1S/C9H11NO/c11-8-5-4-7-3-1-2-6-10-9(7)8/h1,3,10H,2,4-6H2 |
| InChIKey | HGKSXIDVUZUHNI-UHFFFAOYSA-N |
| Molecular Weight | 149.193 g/mol |
| SMILES | C12=C(C=CCCN2)CCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855258 |