| SpectraBase Compound ID | AgNwNuMhZym |
|---|---|
| InChI | InChI=1S/C6H13NO/c1-4-5-7(3)6(2)8/h4-5H2,1-3H3 |
| InChIKey | PGTYNKFWSGJDGL-UHFFFAOYSA-N |
| Mol Weight | 115.18 g/mol |
| Molecular Formula | C6H13NO |
| Exact Mass | 115.099714 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8bgRYhZZl4t |
|---|---|
| Name | Poly(propyl isocyanate) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 115.099714042 u |
| Formula | C6H13NO |
| InChI | InChI=1S/C6H13NO/c1-4-5-7(3)6(2)8/h4-5H2,1-3H3 |
| InChIKey | PGTYNKFWSGJDGL-UHFFFAOYSA-N |
| Molecular Weight | 115.176 g/mol |
| Nominal Mass | 115 u |
| SMILES | C(C)CN(C)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.971147 |