| SpectraBase Compound ID | 978fAkqDj5N |
|---|---|
| InChI | InChI=1S/C11H17NO2/c1-3-5-6-7-8-10(9-12)11(13)14-4-2/h8H,3-7H2,1-2H3/b10-8+ |
| InChIKey | MYNPFRJYBWWTGO-CSKARUKUSA-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 | 1vS32GCGayn |
|---|---|
| Name | (E)-2-Cyano-2-octenoic acid ethyl ester |
| 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/c1-3-5-6-7-8-10(9-12)11(13)14-4-2/h8H,3-7H2,1-2H3/b10-8+ |
| InChIKey | MYNPFRJYBWWTGO-CSKARUKUSA-N |
| Molecular Weight | 195.262 g/mol |
| SMILES | C(\C(=C\CCCCC)C#N)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9769 |