| SpectraBase Compound ID | BoGg2JaG6lr |
|---|---|
| InChI | InChI=1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2 |
| InChIKey | XSCLFFBWRKTMTE-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C10H14N2O2 |
| Exact Mass | 194.105528 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6TzSJafIWzk |
|---|---|
| Name | 1,3-bis(Isocyanatomethyl)cyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.105527697 u |
| Formula | C10H14N2O2 |
| InChI | InChI=1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2 |
| InChIKey | XSCLFFBWRKTMTE-UHFFFAOYSA-N |
| Molecular Weight | 194.234 g/mol |
| SMILES | C(N=C=O)C1CC(CCC1)CN=C=O |
| Spectrum/Structure Validation Score (Raman) | 0.726665 |