| SpectraBase Compound ID | 4pYvS6Dv8Qx |
|---|---|
| InChI | InChI=1S/C14H17BrO4/c1-2-18-13(16)5-3-4-6-14(17)19-12-9-7-11(15)8-10-12/h7-10H,2-6H2,1H3 |
| InChIKey | WDBMTKCQDQOVDH-UHFFFAOYSA-N |
| Mol Weight | 329.19 g/mol |
| Molecular Formula | C14H17BrO4 |
| Exact Mass | 328.031022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RNZdf0NLHS |
|---|---|
| Name | Adipic acid, 4-bromophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.031022023 u |
| Formula | C14H17BrO4 |
| InChI | InChI=1S/C14H17BrO4/c1-2-18-13(16)5-3-4-6-14(17)19-12-9-7-11(15)8-10-12/h7-10H,2-6H2,1H3 |
| InChIKey | WDBMTKCQDQOVDH-UHFFFAOYSA-N |
| Molecular Weight | 329.190 g/mol |
| SMILES | CCOC(=O)CCCCC(=O)OC1=CC=C(C=C1)Br |