| SpectraBase Compound ID | 42oGWVyzXN5 |
|---|---|
| InChI | InChI=1S/C13H23BrO4/c1-2-17-12(15)8-9-13(16)18-11-7-5-3-4-6-10-14/h2-11H2,1H3 |
| InChIKey | IOBBYMVEMCHVPC-UHFFFAOYSA-N |
| Mol Weight | 323.23 g/mol |
| Molecular Formula | C13H23BrO4 |
| Exact Mass | 322.077972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAqturkrdnA |
|---|---|
| Name | Succinic acid, ethyl 7-bromoheptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.077972217 u |
| Formula | C13H23BrO4 |
| InChI | InChI=1S/C13H23BrO4/c1-2-17-12(15)8-9-13(16)18-11-7-5-3-4-6-10-14/h2-11H2,1H3 |
| InChIKey | IOBBYMVEMCHVPC-UHFFFAOYSA-N |
| Molecular Weight | 323.227 g/mol |
| SMILES | C(OC(=O)CCC(OCC)=O)CCCCCCBr |