| SpectraBase Compound ID | HTkijRjLxLf |
|---|---|
| InChI | InChI=1S/C17H14O5/c18-13(9-11-5-1-3-7-14(11)16(19)20)10-12-6-2-4-8-15(12)17(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22) |
| InChIKey | RWXNSBQYDPROMR-UHFFFAOYSA-N |
| Mol Weight | 298.29 g/mol |
| Molecular Formula | C17H14O5 |
| Exact Mass | 298.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | gey8v7SbL9 |
|---|---|
| Name | 2,2'-(2-Oxotrimethylene)dibenzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.084123546 u |
| Formula | C17H14O5 |
| InChI | InChI=1S/C17H14O5/c18-13(9-11-5-1-3-7-14(11)16(19)20)10-12-6-2-4-8-15(12)17(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22) |
| InChIKey | RWXNSBQYDPROMR-UHFFFAOYSA-N |
| SMILES | OC(C=1C=CC=CC1CC(CC=1C(C(O)=O)=CC=CC1)=O)=O |