| SpectraBase Compound ID | C9suLFRPzGK |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-8-9(6-11)4-3-5-10(8)7-12-2/h3-5H,7H2,1-2H3 |
| InChIKey | VRMYWPHBWUCDGB-UHFFFAOYSA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C10H11NO |
| Exact Mass | 161.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HJ5Qr8yzAtn |
|---|---|
| Name | 3-(Methoxymethyl)-2-methylbenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.084063977 u |
| Formula | C10H11NO |
| InChI | InChI=1S/C10H11NO/c1-8-9(6-11)4-3-5-10(8)7-12-2/h3-5H,7H2,1-2H3 |
| InChIKey | VRMYWPHBWUCDGB-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C(#N)C=1C(=C(COC)C=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924305 |