| SpectraBase Compound ID | 5W7Q5ME2gof |
|---|---|
| InChI | InChI=1S/C19H19BrO4/c1-2-3-4-13-23-18(21)14-5-7-15(8-6-14)19(22)24-17-11-9-16(20)10-12-17/h5-12H,2-4,13H2,1H3 |
| InChIKey | BVOZZLADKFSCJU-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 | 5RerSHPezgj |
|---|---|
| Name | Terephthalic 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/c1-2-3-4-13-23-18(21)14-5-7-15(8-6-14)19(22)24-17-11-9-16(20)10-12-17/h5-12H,2-4,13H2,1H3 |
| InChIKey | BVOZZLADKFSCJU-UHFFFAOYSA-N |
| Molecular Weight | 391.261 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OC=1C=CC(=CC1)Br)=O)C(OCCCCC)=O |