| SpectraBase Compound ID | JIPlN0heZsr |
|---|---|
| InChI | InChI=1S/C7H13N/c1-7-5-3-2-4-6-8-7/h2-6H2,1H3 |
| InChIKey | JRAPIKAFUUWTMV-UHFFFAOYSA-N |
| Mol Weight | 111.19 g/mol |
| Molecular Formula | C7H13N |
| Exact Mass | 111.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7LWZyzwHJgN |
|---|---|
| Name | 2H-Azepine, 3,4,5,6-tetrahydro-7-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 111.104799423 u |
| Formula | C7H13N |
| InChI | InChI=1S/C7H13N/c1-7-5-3-2-4-6-8-7/h2-6H2,1H3 |
| InChIKey | JRAPIKAFUUWTMV-UHFFFAOYSA-N |
| Molecular Weight | 111.188 g/mol |
| SMILES | C1(=NCCCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903098 |