| SpectraBase Compound ID | EbrKQCctoBU |
|---|---|
| InChI | InChI=1S/C6H9NO/c1-8-5-6(4-7)2-3-6/h2-3,5H2,1H3 |
| InChIKey | HYNTZMSQCKBZOR-UHFFFAOYSA-N |
| Mol Weight | 111.14 g/mol |
| Molecular Formula | C6H9NO |
| Exact Mass | 111.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B3beDZ7x8C0 |
|---|---|
| Name | Cyclopropanecarbonitrile, 1-(methoxymethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 111.068413913 u |
| Formula | C6H9NO |
| InChI | InChI=1S/C6H9NO/c1-8-5-6(4-7)2-3-6/h2-3,5H2,1H3 |
| InChIKey | HYNTZMSQCKBZOR-UHFFFAOYSA-N |
| Molecular Weight | 111.144 g/mol |
| SMILES | C(C1(CC1)C#N)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872228 |