| SpectraBase Compound ID | 3dMh2FMPvEv |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-6-8-10-16(3)24-20(22)18-13-11-17(12-14-18)19(21)23-15-9-7-5-2/h11-14,16H,4-10,15H2,1-3H3 |
| InChIKey | PLCXXEKOMFGJSB-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 | EHgPTy3mPoT |
|---|---|
| Name | Terephthalic acid, 2-heptyl 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/c1-4-6-8-10-16(3)24-20(22)18-13-11-17(12-14-18)19(21)23-15-9-7-5-2/h11-14,16H,4-10,15H2,1-3H3 |
| InChIKey | PLCXXEKOMFGJSB-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCC)=O)C(OC(CCCCC)C)=O |