| SpectraBase Compound ID | 5qLY13FUhMm |
|---|---|
| InChI | InChI=1S/C13H16ClNO3/c1-9(2)8-18-13(17)12(16)15-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,16) |
| InChIKey | VXHLJQDMUURCNL-UHFFFAOYSA-N |
| Mol Weight | 269.73 g/mol |
| Molecular Formula | C13H16ClNO3 |
| Exact Mass | 269.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Le67lTE5wr8 |
|---|---|
| Name | Oxalic acid, monoamide, N-(2-chlorobenzyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.081871076 u |
| Formula | C13H16ClNO3 |
| InChI | InChI=1S/C13H16ClNO3/c1-9(2)8-18-13(17)12(16)15-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,16) |
| InChIKey | VXHLJQDMUURCNL-UHFFFAOYSA-N |
| SMILES | C(C(=O)NCC1=C(C=CC=C1)Cl)(=O)OCC(C)C |