| SpectraBase Compound ID | KQPTTassdyH |
|---|---|
| InChI | InChI=1S/C10H12N2O3/c1-13-8-4-7(12-6-11)5-9(14-2)10(8)15-3/h4-5,12H,1-3H3 |
| InChIKey | KCTZUNPDLMUHSU-UHFFFAOYSA-N |
| Mol Weight | 208.22 g/mol |
| Molecular Formula | C10H12N2O3 |
| Exact Mass | 208.084792 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3XXVJXt5zcr |
|---|---|
| Name | Benzenamide, N-cyano-3,4,5-trimethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.084792251 u |
| Formula | C10H12N2O3 |
| InChI | InChI=1S/C10H12N2O3/c1-13-8-4-7(12-6-11)5-9(14-2)10(8)15-3/h4-5,12H,1-3H3 |
| InChIKey | KCTZUNPDLMUHSU-UHFFFAOYSA-N |
| Molecular Weight | 208.217 g/mol |
| SMILES | C1(=CC(=C(C(=C1)OC)OC)OC)NC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957101 |