| SpectraBase Compound ID | rpMCTu4xe6 |
|---|---|
| InChI | InChI=1S/C22H20O4/c1-15(2)14-25-21(23)17-9-5-10-18(13-17)22(24)26-20-12-6-8-16-7-3-4-11-19(16)20/h3-13,15H,14H2,1-2H3 |
| InChIKey | PGDHSPBIHGLBAG-UHFFFAOYSA-N |
| Mol Weight | 348.4 g/mol |
| Molecular Formula | C22H20O4 |
| Exact Mass | 348.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zW5iKPERhp |
|---|---|
| Name | Isophthalic acid, isobutyl 1-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.136159120 u |
| Formula | C22H20O4 |
| InChI | InChI=1S/C22H20O4/c1-15(2)14-25-21(23)17-9-5-10-18(13-17)22(24)26-20-12-6-8-16-7-3-4-11-19(16)20/h3-13,15H,14H2,1-2H3 |
| InChIKey | PGDHSPBIHGLBAG-UHFFFAOYSA-N |
| Molecular Weight | 348.398 g/mol |
| SMILES | C1=C(C2=C(C=C1)C=CC=C2)OC(C1=CC(=CC=C1)C(OCC(C)C)=O)=O |