| SpectraBase Compound ID | 6NgC1KUz46U |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-3-4-5-13-24-19(21)15-7-6-8-16(14-15)20(22)25-18-11-9-17(23-2)10-12-18/h6-12,14H,3-5,13H2,1-2H3 |
| InChIKey | UCLIHMWJXTXTCU-UHFFFAOYSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBJK63aRhI8 |
|---|---|
| Name | Isophthalic acid, 4-methoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.146723803 u |
| Formula | C20H22O5 |
| InChI | InChI=1S/C20H22O5/c1-3-4-5-13-24-19(21)15-7-6-8-16(14-15)20(22)25-18-11-9-17(23-2)10-12-18/h6-12,14H,3-5,13H2,1-2H3 |
| InChIKey | UCLIHMWJXTXTCU-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O)OC |