| SpectraBase Compound ID | 6TwpN9Z1HFF |
|---|---|
| InChI | InChI=1S/C17H23BrO5/c1-3-4-5-10-22-16(19)8-9-17(20)23-12-13-11-14(18)6-7-15(13)21-2/h6-7,11H,3-5,8-10,12H2,1-2H3 |
| InChIKey | FLNASCFRQJYELS-UHFFFAOYSA-N |
| Mol Weight | 387.27 g/mol |
| Molecular Formula | C17H23BrO5 |
| Exact Mass | 386.072887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BMPIG4sVmja |
|---|---|
| Name | Succinic acid, 5-bromo-2-methoxybenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.072886836 u |
| Formula | C17H23BrO5 |
| InChI | InChI=1S/C17H23BrO5/c1-3-4-5-10-22-16(19)8-9-17(20)23-12-13-11-14(18)6-7-15(13)21-2/h6-7,11H,3-5,8-10,12H2,1-2H3 |
| InChIKey | FLNASCFRQJYELS-UHFFFAOYSA-N |
| Molecular Weight | 387.270 g/mol |
| SMILES | C(CCC(OCC=1C(OC)=CC=C(Br)C1)=O)(OCCCCC)=O |