| SpectraBase Compound ID | CrgDiQVLLNQ |
|---|---|
| InChI | InChI=1S/C8H17N/c1-7(2)5-6-8(3,4)9/h5H,6,9H2,1-4H3 |
| InChIKey | MBRSQOROHDVOGL-UHFFFAOYSA-N |
| Mol Weight | 127.23 g/mol |
| Molecular Formula | C8H17N |
| Exact Mass | 127.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7OpZxFn9XdW |
|---|---|
| Name | 2,5-Dimethyl-4-hexen-2-amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.136099551 u |
| Formula | C8H17N |
| InChI | InChI=1S/C8H17N/c1-7(2)5-6-8(3,4)9/h5H,6,9H2,1-4H3 |
| InChIKey | MBRSQOROHDVOGL-UHFFFAOYSA-N |
| Molecular Weight | 127.231 g/mol |
| SMILES | CC(=CCC(C)(C)N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953809 |