| SpectraBase Compound ID | 4WLgGZTLZj7 |
|---|---|
| InChI | InChI=1S/C19H19BrO4/c1-2-3-12-23-18(21)14-8-10-15(11-9-14)19(22)24-13-16-6-4-5-7-17(16)20/h4-11H,2-3,12-13H2,1H3 |
| InChIKey | GKRZGFDIWNWHQE-UHFFFAOYSA-N |
| Mol Weight | 391.26 g/mol |
| Molecular Formula | C19H19BrO4 |
| Exact Mass | 390.046672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JKGad0oXnUs |
|---|---|
| Name | Terephthalic acid, 2-bromobenzyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.046672088 u |
| Formula | C19H19BrO4 |
| InChI | InChI=1S/C19H19BrO4/c1-2-3-12-23-18(21)14-8-10-15(11-9-14)19(22)24-13-16-6-4-5-7-17(16)20/h4-11H,2-3,12-13H2,1H3 |
| InChIKey | GKRZGFDIWNWHQE-UHFFFAOYSA-N |
| Molecular Weight | 391.261 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCC)=O)C(=O)OCC1=C(C=CC=C1)Br |