| SpectraBase Compound ID | 6XeMITVR2DH |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-6-8-9-14-23-18(21)15-10-12-16(13-11-15)19(22)24-17(7-2)20(3,4)5/h10-13,17H,6-9,14H2,1-5H3 |
| InChIKey | URJMGPFJUQWNQO-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 | G19zsd2n4nv |
|---|---|
| Name | Terephthalic acid, 4,4-dimethylpent-3-yl 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/c1-6-8-9-14-23-18(21)15-10-12-16(13-11-15)19(22)24-17(7-2)20(3,4)5/h10-13,17H,6-9,14H2,1-5H3 |
| InChIKey | URJMGPFJUQWNQO-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCC)=O)C(=O)OC(C(C)(C)C)CC |