| SpectraBase Compound ID | 8H2GFBN8St |
|---|---|
| InChI | InChI=1S/C12H14Cl3NO2/c13-12(14,15)8-4-5-9-18-11(17)16-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,16,17) |
| InChIKey | ITJGYMKXJXRBQS-UHFFFAOYSA-N |
| Mol Weight | 310.61 g/mol |
| Molecular Formula | C12H14Cl3NO2 |
| Exact Mass | 309.009012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gbqk4sSTWK1 |
|---|---|
| Name | Carbaminic acid, N-phenyl-, 5,5,5-trichloropentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.009011793 u |
| Formula | C12H14Cl3NO2 |
| InChI | InChI=1S/C12H14Cl3NO2/c13-12(14,15)8-4-5-9-18-11(17)16-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,16,17) |
| InChIKey | ITJGYMKXJXRBQS-UHFFFAOYSA-N |
| Molecular Weight | 310.608 g/mol |
| SMILES | C(Cl)(Cl)(Cl)CCCCOC(NC=1C=CC=CC1)=O |