| SpectraBase Compound ID | BCYWXeDgZMH |
|---|---|
| InChI | InChI=1S/C13H17NO/c1-10-4-5-13(15-3)12(8-10)9-11(2)6-7-14/h4-5,8,11H,6,9H2,1-3H3 |
| InChIKey | WJCHFTQOFNVJGS-UHFFFAOYSA-N |
| Mol Weight | 203.28 g/mol |
| Molecular Formula | C13H17NO |
| Exact Mass | 203.131014 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HhQRN1rBVt4 |
|---|---|
| Name | 4-(6-Methoxy-m-tolyl)-3-methylbutyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.131014170 u |
| Formula | C13H17NO |
| InChI | InChI=1S/C13H17NO/c1-10-4-5-13(15-3)12(8-10)9-11(2)6-7-14/h4-5,8,11H,6,9H2,1-3H3 |
| InChIKey | WJCHFTQOFNVJGS-UHFFFAOYSA-N |
| Molecular Weight | 203.285 g/mol |
| SMILES | C=1C(=C(C=CC1C)OC)CC(CC#N)C |
| Spectrum/Structure Validation Score (Raman) | 0.937369 |