| SpectraBase Compound ID | jaXb17ywRk |
|---|---|
| InChI | InChI=1S/C20H20O5/c1-2-3-6-12-24-19(22)15-9-7-10-16(13-15)20(23)25-18-11-5-4-8-17(18)14-21/h4-5,7-11,13-14H,2-3,6,12H2,1H3 |
| InChIKey | XPOQHUMREOKZES-UHFFFAOYSA-N |
| Mol Weight | 340.38 g/mol |
| Molecular Formula | C20H20O5 |
| Exact Mass | 340.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DExQAeBGD4S |
|---|---|
| Name | Isophthalic acid, 2-formylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.131073739 u |
| Formula | C20H20O5 |
| InChI | InChI=1S/C20H20O5/c1-2-3-6-12-24-19(22)15-9-7-10-16(13-15)20(23)25-18-11-5-4-8-17(18)14-21/h4-5,7-11,13-14H,2-3,6,12H2,1H3 |
| InChIKey | XPOQHUMREOKZES-UHFFFAOYSA-N |
| Molecular Weight | 340.375 g/mol |
| SMILES | C1=C(C(=CC=C1)C=O)OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O |