| SpectraBase Compound ID | doPv3PuaWG |
|---|---|
| InChI | InChI=1S/C15H12Cl3NO3/c16-10-5-6-14(12(18)9-10)21-7-8-22-15(20)19-13-4-2-1-3-11(13)17/h1-6,9H,7-8H2,(H,19,20) |
| InChIKey | NJYQPYYZSIOPEZ-UHFFFAOYSA-N |
| Mol Weight | 360.62 g/mol |
| Molecular Formula | C15H12Cl3NO3 |
| Exact Mass | 358.988276 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYVaV9x72SG |
|---|---|
| Name | 2-(2,4-Dichlorophenoxy)ethanol, o-chlorocarbanilate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.988276347 u |
| Formula | C15H12Cl3NO3 |
| InChI | InChI=1S/C15H12Cl3NO3/c16-10-5-6-14(12(18)9-10)21-7-8-22-15(20)19-13-4-2-1-3-11(13)17/h1-6,9H,7-8H2,(H,19,20) |
| InChIKey | NJYQPYYZSIOPEZ-UHFFFAOYSA-N |
| Molecular Weight | 360.624 g/mol |
| SMILES | N(C(OCCOC1=CC=C(C=C1Cl)Cl)=O)C=1C(=CC=CC1)Cl |