| SpectraBase Compound ID | FlZgYgxE4TS |
|---|---|
| InChI | InChI=1S/C12H11NO/c14-12-8-4-5-9-13(10-12)11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | YURJFSABIGJPHG-UHFFFAOYSA-N |
| Mol Weight | 185.23 g/mol |
| Molecular Formula | C12H11NO |
| Exact Mass | 185.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4OOs7nMb5B3 |
|---|---|
| Name | 3H-Azepin-3-one, 1,2-dihydro-1-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.084063977 u |
| Formula | C12H11NO |
| InChI | InChI=1S/C12H11NO/c14-12-8-4-5-9-13(10-12)11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | YURJFSABIGJPHG-UHFFFAOYSA-N |
| Molecular Weight | 185.226 g/mol |
| SMILES | C1N(C=CC=CC1=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887058 |