| SpectraBase Compound ID | 5tEVLT7MwQK |
|---|---|
| InChI | InChI=1S/C12H15NO/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11/h4-10H,2-3H2,1H3,(H,13,14) |
| InChIKey | JPDYMCJJYVECJY-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 | I2NYUKF2xNs |
|---|---|
| Name | 2-Hexenanilide |
| 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/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11/h4-10H,2-3H2,1H3,(H,13,14) |
| InChIKey | JPDYMCJJYVECJY-UHFFFAOYSA-N |
| Molecular Weight | 189.258 g/mol |
| SMILES | N(C1=CC=CC=C1)C(C=CCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.9424 |