| SpectraBase Compound ID | 2WUF90GpbaS |
|---|---|
| InChI | InChI=1S/C18H16Br2O4/c19-15-5-1-3-13(9-15)11-23-17(21)7-8-18(22)24-12-14-4-2-6-16(20)10-14/h1-6,9-10H,7-8,11-12H2 |
| InChIKey | MMXNQNZILSAQQK-UHFFFAOYSA-N |
| Mol Weight | 456.13 g/mol |
| Molecular Formula | C18H16Br2O4 |
| Exact Mass | 453.941535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jP992Ne3Wn |
|---|---|
| Name | Succinic acid, di(3-bromobenzyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 453.941534991 u |
| Formula | C18H16Br2O4 |
| InChI | InChI=1S/C18H16Br2O4/c19-15-5-1-3-13(9-15)11-23-17(21)7-8-18(22)24-12-14-4-2-6-16(20)10-14/h1-6,9-10H,7-8,11-12H2 |
| InChIKey | MMXNQNZILSAQQK-UHFFFAOYSA-N |
| Molecular Weight | 456.130 g/mol |
| SMILES | C(OC(=O)CCC(OCC1=CC(=CC=C1)Br)=O)C1=CC(=CC=C1)Br |