| SpectraBase Compound ID | IAVOoOzslOT |
|---|---|
| InChI | InChI=1S/C15H19BrO4/c1-2-11-19-14(17)5-3-4-6-15(18)20-13-9-7-12(16)8-10-13/h7-10H,2-6,11H2,1H3 |
| InChIKey | BEVCVRNFBSBKPY-UHFFFAOYSA-N |
| Mol Weight | 343.22 g/mol |
| Molecular Formula | C15H19BrO4 |
| Exact Mass | 342.046672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7D6A0Q7M5E |
|---|---|
| Name | Adipic acid, 4-bromophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.046672088 u |
| Formula | C15H19BrO4 |
| InChI | InChI=1S/C15H19BrO4/c1-2-11-19-14(17)5-3-4-6-15(18)20-13-9-7-12(16)8-10-13/h7-10H,2-6,11H2,1H3 |
| InChIKey | BEVCVRNFBSBKPY-UHFFFAOYSA-N |
| Molecular Weight | 343.217 g/mol |
| SMILES | CCCOC(CCCCC(=O)OC1=CC=C(C=C1)Br)=O |