| SpectraBase Compound ID | 4UzsPUMc2FM |
|---|---|
| InChI | InChI=1S/C14H17BrO5/c1-3-19-13(16)5-4-6-14(17)20-11-8-7-10(15)9-12(11)18-2/h7-9H,3-6H2,1-2H3 |
| InChIKey | KXLUJJPWVGOXEI-UHFFFAOYSA-N |
| Mol Weight | 345.19 g/mol |
| Molecular Formula | C14H17BrO5 |
| Exact Mass | 344.025937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mcQd4BcDpj |
|---|---|
| Name | Glutaric acid, 4-bromo-2-methoxyphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.025936642 u |
| Formula | C14H17BrO5 |
| InChI | InChI=1S/C14H17BrO5/c1-3-19-13(16)5-4-6-14(17)20-11-8-7-10(15)9-12(11)18-2/h7-9H,3-6H2,1-2H3 |
| InChIKey | KXLUJJPWVGOXEI-UHFFFAOYSA-N |
| Molecular Weight | 345.189 g/mol |
| SMILES | C(CCC(OCC)=O)C(OC1=CC=C(C=C1OC)Br)=O |