| SpectraBase Compound ID | 98DwIw3LNCo |
|---|---|
| InChI | InChI=1S/C6H13N/c1-2-3-4-5-6-7/h2-3H,4-7H2,1H3/b3-2+ |
| InChIKey | AZJUGPLDDAZZTB-NSCUHMNNSA-N |
| Mol Weight | 99.18 g/mol |
| Molecular Formula | C6H13N |
| Exact Mass | 99.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 87YEKolqgJc |
|---|---|
| Name | hex-4-Enylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 99.104799423 u |
| Formula | C6H13N |
| InChI | InChI=1S/C6H13N/c1-2-3-4-5-6-7/h2-3H,4-7H2,1H3/b3-2+ |
| InChIKey | AZJUGPLDDAZZTB-NSCUHMNNSA-N |
| Molecular Weight | 99.177 g/mol |
| SMILES | C\C=C\CCCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988091 |