| SpectraBase Compound ID | 4YqqsO46ZEW |
|---|---|
| InChI | InChI=1S/C11H14ClNO2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3 |
| InChIKey | QCSXNTRFQDSSIC-UHFFFAOYSA-N |
| Mol Weight | 227.69 g/mol |
| Molecular Formula | C11H14ClNO2 |
| Exact Mass | 227.071306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ksCxfMWngx |
|---|---|
| Name | 4-Chlorobenzoic acid, 2-dimethylaminoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.071306393 u |
| Formula | C11H14ClNO2 |
| InChI | InChI=1S/C11H14ClNO2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3 |
| InChIKey | QCSXNTRFQDSSIC-UHFFFAOYSA-N |
| Molecular Weight | 227.691 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)OCCN(C)C)Cl |