| SpectraBase Compound ID | AE9fGEVaxZZ |
|---|---|
| InChI | InChI=1S/C10H11NO3/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-5H,1-3H3 |
| InChIKey | QYLMOMNYCPHSJW-UHFFFAOYSA-N |
| Mol Weight | 193.2 g/mol |
| Molecular Formula | C10H11NO3 |
| Exact Mass | 193.073893 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3HOHdPpDAaT |
|---|---|
| Name | 2,4,5-Trimethoxybenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.073893215 u |
| Formula | C10H11NO3 |
| InChI | InChI=1S/C10H11NO3/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-5H,1-3H3 |
| InChIKey | QYLMOMNYCPHSJW-UHFFFAOYSA-N |
| Molecular Weight | 193.202 g/mol |
| SMILES | C=1C(=C(C=C(C1OC)OC)OC)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.909527 |