| SpectraBase Compound ID | 4MQ098kCMOe |
|---|---|
| InChI | InChI=1S/C8H8N2O/c9-5-2-1-3-8(7-11)4-6-10/h3,7H,1-2,4H2/b8-3+ |
| InChIKey | TWNAMPORJYAGPR-FPYGCLRLSA-N |
| Mol Weight | 148.16 g/mol |
| Molecular Formula | C8H8N2O |
| Exact Mass | 148.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EYllgmTwjaw |
|---|---|
| Name | 3-Formylhept-3-enedinitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.063662885 u |
| Formula | C8H8N2O |
| InChI | InChI=1S/C8H8N2O/c9-5-2-1-3-8(7-11)4-6-10/h3,7H,1-2,4H2/b8-3+ |
| InChIKey | TWNAMPORJYAGPR-FPYGCLRLSA-N |
| Molecular Weight | 148.165 g/mol |
| SMILES | C(=O)\C(CC#N)=C\CCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.803863 |