| SpectraBase Compound ID | CeYVWxDMwsR |
|---|---|
| InChI | InChI=1S/C18H17BrO4/c1-2-3-11-22-17(20)13-5-4-6-14(12-13)18(21)23-16-9-7-15(19)8-10-16/h4-10,12H,2-3,11H2,1H3 |
| InChIKey | WFVLQKJRYBPAAQ-UHFFFAOYSA-N |
| Mol Weight | 377.23 g/mol |
| Molecular Formula | C18H17BrO4 |
| Exact Mass | 376.031022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6roM8I85V84 |
|---|---|
| Name | Isophthalic acid, 4-bromophenyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.031022023 u |
| Formula | C18H17BrO4 |
| InChI | InChI=1S/C18H17BrO4/c1-2-3-11-22-17(20)13-5-4-6-14(12-13)18(21)23-16-9-7-15(19)8-10-16/h4-10,12H,2-3,11H2,1H3 |
| InChIKey | WFVLQKJRYBPAAQ-UHFFFAOYSA-N |
| Molecular Weight | 377.234 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OC1=CC=C(C=C1)Br)=O)(OCCCC)=O |