| SpectraBase Compound ID | 7qMMtx7jpfu |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-2-3-4-5-12-23-18(20)15-8-10-16(11-9-15)19(21)24-14-17-7-6-13-22-17/h8-11,17H,2-7,12-14H2,1H3 |
| InChIKey | YVOPFDITHSUBNZ-UHFFFAOYSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9npeGSaedOc |
|---|---|
| Name | Terephthalic acid, hexyl 2-tetrahydrofurylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178023932 u |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-2-3-4-5-12-23-18(20)15-8-10-16(11-9-15)19(21)24-14-17-7-6-13-22-17/h8-11,17H,2-7,12-14H2,1H3 |
| InChIKey | YVOPFDITHSUBNZ-UHFFFAOYSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCC1OCCC1 |