| SpectraBase Compound ID | FJ7z1MAVO6w |
|---|---|
| InChI | InChI=1S/C13H18ClNO2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | YBWWQKVPBNGZPD-UHFFFAOYSA-N |
| Mol Weight | 255.74 g/mol |
| Molecular Formula | C13H18ClNO2 |
| Exact Mass | 255.102607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4L61HKWkDxI |
|---|---|
| Name | 4-Chlorobenzoic acid, 2-diethylaminoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.102606522 u |
| Formula | C13H18ClNO2 |
| InChI | InChI=1S/C13H18ClNO2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | YBWWQKVPBNGZPD-UHFFFAOYSA-N |
| Molecular Weight | 255.745 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)OCCN(CC)CC)Cl |