| SpectraBase Compound ID | EZvtaBd5RQs |
|---|---|
| InChI | InChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3 |
| InChIKey | RFXBSYPBSRSQDU-UHFFFAOYSA-N |
| Mol Weight | 141.21 g/mol |
| Molecular Formula | C8H15NO |
| Exact Mass | 141.115364 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7POVsZcbjsX |
|---|---|
| Name | Heptyl isocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.115364106 u |
| Formula | C8H15NO |
| InChI | InChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3 |
| InChIKey | RFXBSYPBSRSQDU-UHFFFAOYSA-N |
| Molecular Weight | 141.214 g/mol |
| SMILES | C(CCCCCC)N=C=O |
| Spectrum/Structure Validation Score (Raman) | 0.977001 |