| SpectraBase Compound ID | 31hhfFYIFV0 |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-12(2)10-21-16(18)13-5-7-14(8-6-13)17(19)22-11-15-4-3-9-20-15/h5-8,12,15H,3-4,9-11H2,1-2H3 |
| InChIKey | VXVZNWDKJLXFTL-UHFFFAOYSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvYMdIUbWaY |
|---|---|
| Name | Terephthalic acid, isobutyl 2-tetrahydrofurylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.146723803 u |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-12(2)10-21-16(18)13-5-7-14(8-6-13)17(19)22-11-15-4-3-9-20-15/h5-8,12,15H,3-4,9-11H2,1-2H3 |
| InChIKey | VXVZNWDKJLXFTL-UHFFFAOYSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | CC(COC(=O)C1=CC=C(C=C1)C(=O)OCC1CCCO1)C |