| SpectraBase Compound ID | FoAteyg7Isy |
|---|---|
| InChI | InChI=1S/C14H17Cl2NO3/c15-8-12(9-16)20-14(19)7-6-13(18)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18) |
| InChIKey | HEKDKDMPBCHYQS-UHFFFAOYSA-N |
| Mol Weight | 318.2 g/mol |
| Molecular Formula | C14H17Cl2NO3 |
| Exact Mass | 317.058549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L1tDqLRTEiL |
|---|---|
| Name | 2-Chloro-1-(chloromethyl)ethyl 4-(benzylamino)-4-oxobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.058548808 u |
| Formula | C14H17Cl2NO3 |
| InChI | InChI=1S/C14H17Cl2NO3/c15-8-12(9-16)20-14(19)7-6-13(18)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18) |
| InChIKey | HEKDKDMPBCHYQS-UHFFFAOYSA-N |
| Molecular Weight | 318.200 g/mol |
| SMILES | N(C(=O)CCC(OC(CCl)CCl)=O)CC1=CC=CC=C1 |