| SpectraBase Compound ID | 9UDEQkKUcaJ |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-6-7-8-9-15-23-19(21)17-11-13-18(14-12-17)20(22)24-16(3)10-5-2/h11-14,16H,4-10,15H2,1-3H3 |
| InChIKey | IQBCAJRXMIRLCC-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mVVxZjdzGh |
|---|---|
| Name | Terephthalic acid, heptyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-4-6-7-8-9-15-23-19(21)17-11-13-18(14-12-17)20(22)24-16(3)10-5-2/h11-14,16H,4-10,15H2,1-3H3 |
| InChIKey | IQBCAJRXMIRLCC-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCC)=O)C(OC(CCC)C)=O |