| SpectraBase Compound ID | ESm7ClDII24 |
|---|---|
| InChI | InChI=1S/C13H14Cl3NO/c1-2-3-9-17(12(18)13(14,15)16)10-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10H2 |
| InChIKey | CYOJTOJONKCCBY-UHFFFAOYSA-N |
| Mol Weight | 306.62 g/mol |
| Molecular Formula | C13H14Cl3NO |
| Exact Mass | 305.014097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hrkv0zimrkQ |
|---|---|
| Name | N-Benzyl-N-(but-3-en-1-yl)-2,2,2-trichloroacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.014097174 u |
| Formula | C13H14Cl3NO |
| InChI | InChI=1S/C13H14Cl3NO/c1-2-3-9-17(12(18)13(14,15)16)10-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10H2 |
| InChIKey | CYOJTOJONKCCBY-UHFFFAOYSA-N |
| Molecular Weight | 306.620 g/mol |
| SMILES | C1(=CC=CC=C1)CN(C(C(Cl)(Cl)Cl)=O)CCC=C |