![Ethenylcyanide, 3-[3,4-methylenedioxyphenyl]-](/api/spectrum/D8Rinab0YXd/structure.png?h=300&w=458 "Ethenylcyanide, 3-[3,4-methylenedioxyphenyl]-")
| SpectraBase Compound ID | 1lKZgqkCHbt |
|---|---|
| InChI | InChI=1S/C10H7NO2/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-4,6H,7H2/b2-1+ |
| InChIKey | GQUDHNZWHXCPSA-OWOJBTEDSA-N |
| Mol Weight | 173.17 g/mol |
| Molecular Formula | C10H7NO2 |
| Exact Mass | 173.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D8Rinab0YXd |
|---|---|
| Name | Ethenylcyanide, 3-[3,4-methylenedioxyphenyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.047678467 u |
| Formula | C10H7NO2 |
| InChI | InChI=1S/C10H7NO2/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-4,6H,7H2/b2-1+ |
| InChIKey | GQUDHNZWHXCPSA-OWOJBTEDSA-N |
| Molecular Weight | 173.171 g/mol |
| SMILES | C1=C(C=C2C(=C1)OCO2)\C=C\C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966468 |