| SpectraBase Compound ID | DWOEmojRMon |
|---|---|
| InChI | InChI=1S/C11H17NO2/c1-3-4-5-7-11(8-6-9-12)14-10(2)13/h6,8,11H,3-5,7H2,1-2H3 |
| InChIKey | JCRJUYPNBLMFRU-UHFFFAOYSA-N |
| Mol Weight | 195.26 g/mol |
| Molecular Formula | C11H17NO2 |
| Exact Mass | 195.125929 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LjXBP7rYC0g |
|---|---|
| Name | 4-Acetoxynon-2-enenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.125928789 u |
| Formula | C11H17NO2 |
| InChI | InChI=1S/C11H17NO2/c1-3-4-5-7-11(8-6-9-12)14-10(2)13/h6,8,11H,3-5,7H2,1-2H3 |
| InChIKey | JCRJUYPNBLMFRU-UHFFFAOYSA-N |
| Molecular Weight | 195.262 g/mol |
| SMILES | C(#N)C=CC(OC(=O)C)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966482 |