| SpectraBase Compound ID | 9bhioTl7YLF |
|---|---|
| InChI | InChI=1S/C18H16Br2O4/c19-15-5-1-13(2-6-15)11-23-17(21)9-10-18(22)24-12-14-3-7-16(20)8-4-14/h1-8H,9-12H2 |
| InChIKey | ACSWCQALPUPLIC-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 | 9fgXXtkqdCU |
|---|---|
| Name | Succinic acid, di(4-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/c19-15-5-1-13(2-6-15)11-23-17(21)9-10-18(22)24-12-14-3-7-16(20)8-4-14/h1-8H,9-12H2 |
| InChIKey | ACSWCQALPUPLIC-UHFFFAOYSA-N |
| Molecular Weight | 456.130 g/mol |
| SMILES | C(OC(=O)CCC(OCC1=CC=C(C=C1)Br)=O)C1=CC=C(C=C1)Br |