| SpectraBase Compound ID | CYa51ZoCZT8 |
|---|---|
| InChI | InChI=1S/C6H16N2/c1-5(7)4-6(2,3)8/h5H,4,7-8H2,1-3H3 |
| InChIKey | PCXAQLMRLMZKRL-UHFFFAOYSA-N |
| Mol Weight | 116.21 g/mol |
| Molecular Formula | C6H16N2 |
| Exact Mass | 116.131349 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 15kvCTUOrJs |
|---|---|
| Name | 2,4-Pentanediamine, 2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.131348523 u |
| Formula | C6H16N2 |
| InChI | InChI=1S/C6H16N2/c1-5(7)4-6(2,3)8/h5H,4,7-8H2,1-3H3 |
| InChIKey | PCXAQLMRLMZKRL-UHFFFAOYSA-N |
| Molecular Weight | 116.208 g/mol |
| SMILES | C(C(C)(C)N)C(C)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963143 |