| SpectraBase Compound ID | AVrqq3nOVE6 |
|---|---|
| InChI | InChI=1S/C12H14Cl3NO3/c1-18-9-4-3-8(7-10(9)19-2)5-6-16-11(17)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17) |
| InChIKey | KNWACDYQQXCWSC-UHFFFAOYSA-N |
| Mol Weight | 326.61 g/mol |
| Molecular Formula | C12H14Cl3NO3 |
| Exact Mass | 325.003926 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9nNzi2HOl0 |
|---|---|
| Name | Trichloroacetamide, N-(3,4-dimethoxyphenethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.003926412 u |
| Formula | C12H14Cl3NO3 |
| InChI | InChI=1S/C12H14Cl3NO3/c1-18-9-4-3-8(7-10(9)19-2)5-6-16-11(17)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17) |
| InChIKey | KNWACDYQQXCWSC-UHFFFAOYSA-N |
| Molecular Weight | 326.607 g/mol |
| SMILES | C(C(Cl)(Cl)Cl)(=O)NCCC=1C=C(OC)C(OC)=CC1 |