| SpectraBase Compound ID | CuMAhFO8hsu |
|---|---|
| InChI | InChI=1S/C12H15NO/c1-10-5-4-6-11(7-10)12(9-14)8-13(2)3/h4-9H,1-3H3 |
| InChIKey | OUWJFRKQPCPPQZ-UHFFFAOYSA-N |
| Mol Weight | 189.26 g/mol |
| Molecular Formula | C12H15NO |
| Exact Mass | 189.115364 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2mqFNDNIt30 |
|---|---|
| Name | beta-(Dimethylamino)-m-methylatropaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.115364106 u |
| Formula | C12H15NO |
| InChI | InChI=1S/C12H15NO/c1-10-5-4-6-11(7-10)12(9-14)8-13(2)3/h4-9H,1-3H3 |
| InChIKey | OUWJFRKQPCPPQZ-UHFFFAOYSA-N |
| Molecular Weight | 189.258 g/mol |
| SMILES | C=1C(=CC(=CC1)C)C(=CN(C)C)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.949256 |