| SpectraBase Compound ID | 3VdFPjnztbZ |
|---|---|
| InChI | InChI=1S/C18H17BrO4/c1-12(2)11-22-17(20)13-3-5-14(6-4-13)18(21)23-16-9-7-15(19)8-10-16/h3-10,12H,11H2,1-2H3 |
| InChIKey | HHMZYXZUGUXUDJ-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 | 4cwSlCUAWyx |
|---|---|
| Name | Terephthalic acid, 4-bromophenyl isobutyl 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/c1-12(2)11-22-17(20)13-3-5-14(6-4-13)18(21)23-16-9-7-15(19)8-10-16/h3-10,12H,11H2,1-2H3 |
| InChIKey | HHMZYXZUGUXUDJ-UHFFFAOYSA-N |
| Molecular Weight | 377.234 g/mol |
| SMILES | C(C1=CC=C(C=C1)C(OCC(C)C)=O)(OC1=CC=C(C=C1)Br)=O |