| SpectraBase Compound ID | LL3vjQn3NtS |
|---|---|
| InChI | InChI=1S/C10H11NO2/c1-2-3-7-12-8-4-5-9-13-10-6-11/h7-10H2,1H3 |
| InChIKey | RMPBUJPLPGKLSD-UHFFFAOYSA-N |
| Mol Weight | 177.2 g/mol |
| Molecular Formula | C10H11NO2 |
| Exact Mass | 177.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K3Z8d0WVhFX |
|---|---|
| Name | 11-Cyano-5,10-dioxaundeca-2,7-diyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.078978596 u |
| Formula | C10H11NO2 |
| InChI | InChI=1S/C10H11NO2/c1-2-3-7-12-8-4-5-9-13-10-6-11/h7-10H2,1H3 |
| InChIKey | RMPBUJPLPGKLSD-UHFFFAOYSA-N |
| Molecular Weight | 177.203 g/mol |
| SMILES | CC#CCOCC#CCOCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981389 |