| SpectraBase Compound ID | 7LeBxQge9ZB |
|---|---|
| InChI | InChI=1S/C8H9NO/c1-6-3-4-7(2)10-8(6)5-9/h4H,3H2,1-2H3 |
| InChIKey | BLZMKJDUXQSTNM-UHFFFAOYSA-N |
| Mol Weight | 135.17 g/mol |
| Molecular Formula | C8H9NO |
| Exact Mass | 135.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | u9JCm2sDFR |
|---|---|
| Name | 3,6-Dimethyl-4H-pyran-2-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 135.068413913 u |
| Formula | C8H9NO |
| InChI | InChI=1S/C8H9NO/c1-6-3-4-7(2)10-8(6)5-9/h4H,3H2,1-2H3 |
| InChIKey | BLZMKJDUXQSTNM-UHFFFAOYSA-N |
| Molecular Weight | 135.166 g/mol |
| SMILES | C=1(OC(C)=CCC1C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878212 |