| SpectraBase Compound ID | KlENQJIHVB9 |
|---|---|
| InChI | InChI=1S/C12H14ClNO3/c1-2-3-7-17-12(16)11(15)14-10-6-4-5-9(13)8-10/h4-6,8H,2-3,7H2,1H3,(H,14,15) |
| InChIKey | MGESRFXFUTTWNS-UHFFFAOYSA-N |
| Mol Weight | 255.7 g/mol |
| Molecular Formula | C12H14ClNO3 |
| Exact Mass | 255.066221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HgM0xqFEYeg |
|---|---|
| Name | Oxalic acid, monoamide, N-(3-clorophenyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.066221012 u |
| Formula | C12H14ClNO3 |
| InChI | InChI=1S/C12H14ClNO3/c1-2-3-7-17-12(16)11(15)14-10-6-4-5-9(13)8-10/h4-6,8H,2-3,7H2,1H3,(H,14,15) |
| InChIKey | MGESRFXFUTTWNS-UHFFFAOYSA-N |
| Molecular Weight | 255.701 g/mol |
| SMILES | C(C(=O)NC1=CC=CC(=C1)Cl)(OCCCC)=O |