![4-[(4-Bromobenzyl)-methyl-amino]benzoic acid methyl ester](/api/spectrum/KelIYqOJzYo/structure.png?h=300&w=458 "4-[(4-Bromobenzyl)-methyl-amino]benzoic acid methyl ester")
| SpectraBase Compound ID | GXI543pMJD2 |
|---|---|
| InChI | InChI=1S/C16H16BrNO2/c1-18(11-12-3-7-14(17)8-4-12)15-9-5-13(6-10-15)16(19)20-2/h3-10H,11H2,1-2H3 |
| InChIKey | OINXJTCFGWWZRQ-UHFFFAOYSA-N |
| Mol Weight | 334.21 g/mol |
| Molecular Formula | C16H16BrNO2 |
| Exact Mass | 333.036442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KelIYqOJzYo |
|---|---|
| Name | 4-[(4-Bromobenzyl)-methyl-amino]benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.036441757 u |
| Formula | C16H16BrNO2 |
| InChI | InChI=1S/C16H16BrNO2/c1-18(11-12-3-7-14(17)8-4-12)15-9-5-13(6-10-15)16(19)20-2/h3-10H,11H2,1-2H3 |
| InChIKey | OINXJTCFGWWZRQ-UHFFFAOYSA-N |
| Molecular Weight | 334.213 g/mol |
| SMILES | C(C=1C=CC(=CC1)N(C)CC=1C=CC(=CC1)Br)(=O)OC |