| SpectraBase Compound ID | AaMuHlVzm6M |
|---|---|
| InChI | InChI=1S/C13H14Cl3NO3/c14-7-11(8-15)20-13(19)6-5-12(18)17-10-3-1-9(16)2-4-10/h1-4,11H,5-8H2,(H,17,18) |
| InChIKey | PPDDRUWHSAJLEQ-UHFFFAOYSA-N |
| Mol Weight | 338.62 g/mol |
| Molecular Formula | C13H14Cl3NO3 |
| Exact Mass | 337.003926 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFU0vs0xmJ8 |
|---|---|
| Name | 2-Chloro-1-(chloromethyl)ethyl 4-(4-chloroanilino)-4-oxobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.003926412 u |
| Formula | C13H14Cl3NO3 |
| InChI | InChI=1S/C13H14Cl3NO3/c14-7-11(8-15)20-13(19)6-5-12(18)17-10-3-1-9(16)2-4-10/h1-4,11H,5-8H2,(H,17,18) |
| InChIKey | PPDDRUWHSAJLEQ-UHFFFAOYSA-N |
| Molecular Weight | 338.618 g/mol |
| SMILES | N(C(=O)CCC(OC(CCl)CCl)=O)C=1C=CC(=CC1)Cl |