| SpectraBase Compound ID | Imhrvqm3xFI |
|---|---|
| InChI | InChI=1S/C6H15NO/c1-6(2,7)4-3-5-8/h8H,3-5,7H2,1-2H3 |
| InChIKey | PUCFHKBOPVGLPI-UHFFFAOYSA-N |
| Mol Weight | 117.19 g/mol |
| Molecular Formula | C6H15NO |
| Exact Mass | 117.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BCo0eRiFGWs |
|---|---|
| Name | 1-Pentanol, 4-amino-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 117.115364106 u |
| Formula | C6H15NO |
| InChI | InChI=1S/C6H15NO/c1-6(2,7)4-3-5-8/h8H,3-5,7H2,1-2H3 |
| InChIKey | PUCFHKBOPVGLPI-UHFFFAOYSA-N |
| Molecular Weight | 117.192 g/mol |
| SMILES | C(O)CCC(C)(C)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925584 |