| SpectraBase Compound ID | Gqw5t0K0gXG |
|---|---|
| InChI | InChI=1S/C9H22N2/c1-8(4-5-10)6-9(2,3)7-11/h8H,4-7,10-11H2,1-3H3 |
| InChIKey | JCUZDQXWVYNXHD-UHFFFAOYSA-N |
| Mol Weight | 158.29 g/mol |
| Molecular Formula | C9H22N2 |
| Exact Mass | 158.178299 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Dr9fMhlDj6R |
|---|---|
| Name | 2,2,4-Trimethylhexan-1,6-diamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.178298716 u |
| Formula | C9H22N2 |
| InChI | InChI=1S/C9H22N2/c1-8(4-5-10)6-9(2,3)7-11/h8H,4-7,10-11H2,1-3H3 |
| InChIKey | JCUZDQXWVYNXHD-UHFFFAOYSA-N |
| Molecular Weight | 158.289 g/mol |
| SMILES | C(N)C(C)(C)CC(C)CCN |
| Spectrum/Structure Validation Score (Raman) | 0.940555 |