| SpectraBase Compound ID | EZLHOoUAdNW |
|---|---|
| InChI | 1S/C10H16N2O2/c13-9-11-7-5-3-1-2-4-6-8-12-10-14/h1-8H2 |
| InChIKey | QUPKOUOXSNGVLB-UHFFFAOYSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C10H16N2O2 |
| Exact Mass | 196.121178 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8pCDiyi5C9x |
|---|---|
| Name | 1,8-Diisocyanatooctane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.121177761 u |
| Formula | C10H16N2O2 |
| InChI | InChI=1S/C10H16N2O2/c13-9-11-7-5-3-1-2-4-6-8-12-10-14/h1-8H2 |
| InChIKey | QUPKOUOXSNGVLB-UHFFFAOYSA-N |
| Molecular Weight | 196.250 g/mol |
| SMILES | C(N=C=O)CCCCCCCN=C=O |
| Spectrum/Structure Validation Score (Raman) | 0.862849 |