| SpectraBase Compound ID | 1bxGEd95md3 |
|---|---|
| InChI | InChI=1S/C13H18ClNO/c1-3-15(4-2)13(16)10-9-11-7-5-6-8-12(11)14/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | QVFZYDCABKFRGO-UHFFFAOYSA-N |
| Mol Weight | 239.75 g/mol |
| Molecular Formula | C13H18ClNO |
| Exact Mass | 239.107692 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EwDhK4aDPA |
|---|---|
| Name | o-Chloro-N,N-diethylhydrocinnamamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.107691903 u |
| Formula | C13H18ClNO |
| InChI | InChI=1S/C13H18ClNO/c1-3-15(4-2)13(16)10-9-11-7-5-6-8-12(11)14/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | QVFZYDCABKFRGO-UHFFFAOYSA-N |
| Molecular Weight | 239.746 g/mol |
| SMILES | C=1C=CC=C(C1CCC(=O)N(CC)CC)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.792714 |