| SpectraBase Compound ID | Cs4fyMvciE |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-5H,1-3H3 |
| InChIKey | ZYHLPXFNLCESEI-UHFFFAOYSA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C10H11NO |
| Exact Mass | 161.084064 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3YByjmFzqAp |
|---|---|
| Name | 2,5-Dimethyl-p-anisonitrile |
| 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/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-5H,1-3H3 |
| InChIKey | ZYHLPXFNLCESEI-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C=1C(=C(C=C(C1C)OC)C)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.931123 |