| SpectraBase Compound ID | BOvLPAtUjml |
|---|---|
| InChI | InChI=1S/C19H19BrO4/c1-19(2,3)12-23-17(21)15-6-4-5-7-16(15)18(22)24-14-10-8-13(20)9-11-14/h4-11H,12H2,1-3H3 |
| InChIKey | GITCCHXLYQGZHR-UHFFFAOYSA-N |
| Mol Weight | 391.26 g/mol |
| Molecular Formula | C19H19BrO4 |
| Exact Mass | 390.046672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5y8xgsPSvz5 |
|---|---|
| Name | Phthalic acid, 4-bromophenyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.046672088 u |
| Formula | C19H19BrO4 |
| InChI | InChI=1S/C19H19BrO4/c1-19(2,3)12-23-17(21)15-6-4-5-7-16(15)18(22)24-14-10-8-13(20)9-11-14/h4-11H,12H2,1-3H3 |
| InChIKey | GITCCHXLYQGZHR-UHFFFAOYSA-N |
| Molecular Weight | 391.261 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OCC(C)(C)C)=O)C(OC1=CC=C(C=C1)Br)=O |