| SpectraBase Compound ID | E4pxEfeAPSA |
|---|---|
| InChI | InChI=1S/C13H18BrNO2/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 | HSTRBLADVQWITL-UHFFFAOYSA-N |
| Mol Weight | 300.2 g/mol |
| Molecular Formula | C13H18BrNO2 |
| Exact Mass | 299.052092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlB5Q2zFrOz |
|---|---|
| Name | 2-Diethylaminoethyl 4-bromobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.052091822 u |
| Formula | C13H18BrNO2 |
| InChI | InChI=1S/C13H18BrNO2/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 | HSTRBLADVQWITL-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)Br)(=O)OCCN(CC)CC |