| SpectraBase Compound ID | 9BvNlFkb0f5 |
|---|---|
| InChI | InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)13-11(16)14(12)2/h4-8H,3H2,1-2H3,(H,13,15,16) |
| InChIKey | NEGMMKYAVYNLCG-UHFFFAOYSA-N |
| Mol Weight | 218.26 g/mol |
| Molecular Formula | C12H14N2O2 |
| Exact Mass | 218.105528 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9LAUbWQnVaT |
|---|---|
| Name | Methetoin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.105527697 u |
| Formula | C12H14N2O2 |
| InChI | InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)13-11(16)14(12)2/h4-8H,3H2,1-2H3,(H,13,15,16) |
| InChIKey | NEGMMKYAVYNLCG-UHFFFAOYSA-N |
| Molecular Weight | 218.256 g/mol |
| SMILES | C1(C(N(C)C(N1)=O)(CC)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890799 |