| SpectraBase Compound ID | 7jiWzurlAUV |
|---|---|
| InChI | InChI=1S/C12H16ClNO2/c1-2-16-12(15)4-3-9-14-11-7-5-10(13)6-8-11/h5-8,14H,2-4,9H2,1H3 |
| InChIKey | TXVBLNBZPIPGKG-UHFFFAOYSA-N |
| Mol Weight | 241.72 g/mol |
| Molecular Formula | C12H16ClNO2 |
| Exact Mass | 241.086956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGfIEXE2K8q |
|---|---|
| Name | Ethyl 4-(4-chloroanilino)butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.086956457 u |
| Formula | C12H16ClNO2 |
| InChI | InChI=1S/C12H16ClNO2/c1-2-16-12(15)4-3-9-14-11-7-5-10(13)6-8-11/h5-8,14H,2-4,9H2,1H3 |
| InChIKey | TXVBLNBZPIPGKG-UHFFFAOYSA-N |
| Molecular Weight | 241.718 g/mol |
| SMILES | N(C1=CC=C(C=C1)Cl)CCCC(=O)OCC |