| SpectraBase Compound ID | KyEo5UCoNpe |
|---|---|
| InChI | InChI=1S/C6H9NO2/c1-8-4-6(3-7)5-9-2/h4H,5H2,1-2H3/b6-4- |
| InChIKey | QZFRWRSOUHEOFM-XQRVVYSFSA-N |
| Mol Weight | 127.14 g/mol |
| Molecular Formula | C6H9NO2 |
| Exact Mass | 127.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DABgTENfe47 |
|---|---|
| Name | (Z)-2-(Methoxymethylene)-3-methoxypropanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.063328532 u |
| Formula | C6H9NO2 |
| InChI | InChI=1S/C6H9NO2/c1-8-4-6(3-7)5-9-2/h4H,5H2,1-2H3/b6-4- |
| InChIKey | QZFRWRSOUHEOFM-XQRVVYSFSA-N |
| Molecular Weight | 127.143 g/mol |
| SMILES | C(#N)\C(=C\OC)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96454 |