| SpectraBase Compound ID | IA3HmW4RsAm |
|---|---|
| InChI | InChI=1S/C13H14BrCl2NO3/c14-9-1-3-10(4-2-9)17-12(18)5-6-13(19)20-11(7-15)8-16/h1-4,11H,5-8H2,(H,17,18) |
| InChIKey | UFXOANWOSRIQMW-UHFFFAOYSA-N |
| Mol Weight | 383.07 g/mol |
| Molecular Formula | C13H14BrCl2NO3 |
| Exact Mass | 380.953412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bb6Qo58RdL5 |
|---|---|
| Name | 2-Chloro-1-(chloromethyl)ethyl 4-(4-bromoanilino)-4-oxobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.953411712 u |
| Formula | C13H14BrCl2NO3 |
| InChI | InChI=1S/C13H14BrCl2NO3/c14-9-1-3-10(4-2-9)17-12(18)5-6-13(19)20-11(7-15)8-16/h1-4,11H,5-8H2,(H,17,18) |
| InChIKey | UFXOANWOSRIQMW-UHFFFAOYSA-N |
| Molecular Weight | 383.069 g/mol |
| SMILES | N(C(=O)CCC(OC(CCl)CCl)=O)C1=CC=C(C=C1)Br |