| SpectraBase Compound ID | 3scgLGPx2ED |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-7-10-18(9-6-3)24-20(22)17-13-11-16(12-14-17)19(21)23-15-8-5-2/h11-14,18H,4-10,15H2,1-3H3 |
| InChIKey | LYGQLNGXDOWKLG-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 | GRYpEWIJxe7 |
|---|---|
| Name | Terephthalic acid, butyl 4-octyl 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/c1-4-7-10-18(9-6-3)24-20(22)17-13-11-16(12-14-17)19(21)23-15-8-5-2/h11-14,18H,4-10,15H2,1-3H3 |
| InChIKey | LYGQLNGXDOWKLG-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(OC(C1=CC=C(C=C1)C(OCCCC)=O)=O)(CCCC)CCC |