| SpectraBase Compound ID | 8E5BCXbpOrP |
|---|---|
| InChI | InChI=1S/C18H17BrO4/c1-2-11-22-17(20)13-7-9-14(10-8-13)18(21)23-12-15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3 |
| InChIKey | HXIWMTGMOAZVQL-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 | Cvz1idyL9tN |
|---|---|
| Name | Terephthalic acid, 2-bromobenzyl propyl 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/c1-2-11-22-17(20)13-7-9-14(10-8-13)18(21)23-12-15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3 |
| InChIKey | HXIWMTGMOAZVQL-UHFFFAOYSA-N |
| Molecular Weight | 377.234 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OCC1=C(C=CC=C1)Br |