| SpectraBase Compound ID | 5jBmGZgb9h8 |
|---|---|
| InChI | InChI=1S/C15H21NO/c1-14(2,3)11-7-8-12(15(4,5)6)13(9-11)16-10-17/h7-9H,1-6H3 |
| InChIKey | OGRXPRRFOBXEEX-UHFFFAOYSA-N |
| Mol Weight | 231.34 g/mol |
| Molecular Formula | C15H21NO |
| Exact Mass | 231.162314 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3fzo4AQpBER |
|---|---|
| Name | 2,5-di-Tert-butylphenyl isocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.162314299 u |
| Formula | C15H21NO |
| InChI | InChI=1S/C15H21NO/c1-14(2,3)11-7-8-12(15(4,5)6)13(9-11)16-10-17/h7-9H,1-6H3 |
| InChIKey | OGRXPRRFOBXEEX-UHFFFAOYSA-N |
| Molecular Weight | 231.339 g/mol |
| SMILES | C(C)(C)(C)C1=C(C=C(C=C1)C(C)(C)C)N=C=O |
| Spectrum/Structure Validation Score (Raman) | 0.912131 |