| SpectraBase Compound ID | Jbph5wEGlnR |
|---|---|
| InChI | InChI=1S/C9H17N/c1-8-4-5-10-7-9(2,3)6-8/h4,10H,5-7H2,1-3H3 |
| InChIKey | BFDPFFUFRRVVQB-UHFFFAOYSA-N |
| Mol Weight | 139.24 g/mol |
| Molecular Formula | C9H17N |
| Exact Mass | 139.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EafoXv9vbbN |
|---|---|
| Name | 3,3,5-Trimethyl-1,2,4,7-tetrahydroazepine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.136099551 u |
| Formula | C9H17N |
| InChI | InChI=1S/C9H17N/c1-8-4-5-10-7-9(2,3)6-8/h4,10H,5-7H2,1-3H3 |
| InChIKey | BFDPFFUFRRVVQB-UHFFFAOYSA-N |
| Molecular Weight | 139.242 g/mol |
| SMILES | C1(=CCNCC(C1)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946397 |