| SpectraBase Compound ID | 3zzMj2Ds5KI |
|---|---|
| InChI | InChI=1S/C12H15NO/c1-4-6-11(14)13-12-9(2)7-5-8-10(12)3/h4-8H,1-3H3,(H,13,14) |
| InChIKey | JGUDBVOIXXBIOV-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 | 82zuEzAIABs |
|---|---|
| Name | 2',6'-Crotonoxylidide |
| 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/c1-4-6-11(14)13-12-9(2)7-5-8-10(12)3/h4-8H,1-3H3,(H,13,14) |
| InChIKey | JGUDBVOIXXBIOV-UHFFFAOYSA-N |
| Molecular Weight | 189.258 g/mol |
| SMILES | N(C1=C(C=CC=C1C)C)C(C=CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.941773 |