| SpectraBase Compound ID | 3AXeSBsMTi4 |
|---|---|
| InChI | InChI=1S/C19H19BrO4/c1-2-3-6-13-23-18(21)16-7-4-5-8-17(16)19(22)24-15-11-9-14(20)10-12-15/h4-5,7-12H,2-3,6,13H2,1H3 |
| InChIKey | YOBGQUDIBNKWRA-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 | LDGPvBII3zL |
|---|---|
| Name | Phthalic acid, 4-bromophenyl pentyl 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/c1-2-3-6-13-23-18(21)16-7-4-5-8-17(16)19(22)24-15-11-9-14(20)10-12-15/h4-5,7-12H,2-3,6,13H2,1H3 |
| InChIKey | YOBGQUDIBNKWRA-UHFFFAOYSA-N |
| Molecular Weight | 391.261 g/mol |
| SMILES | CCCCCOC(C1=C(C(OC2=CC=C(C=C2)Br)=O)C=CC=C1)=O |