| SpectraBase Compound ID | 73Giyz11uXQ |
|---|---|
| InChI | InChI=1S/C8H11N/c1-7-5-3-4-6-8(2)9-7/h3-7H,1-2H3/t7-/m0/s1 |
| InChIKey | DRTGYCFFKZAFQO-ZETCQYMHSA-N |
| Mol Weight | 121.18 g/mol |
| Molecular Formula | C8H11N |
| Exact Mass | 121.089149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JE7U2bSJyTs |
|---|---|
| Name | (2S)-2,7-Dimethyl-2H-azepine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 121.089149358 u |
| Formula | C8H11N |
| InChI | InChI=1S/C8H11N/c1-7-5-3-4-6-8(2)9-7/h3-7H,1-2H3/t7-/m0/s1 |
| InChIKey | DRTGYCFFKZAFQO-ZETCQYMHSA-N |
| Molecular Weight | 121.183 g/mol |
| SMILES | C1(=N[C@](C=CC=C1)(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988477 |