| SpectraBase Compound ID | GAaKgc5uGXb |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-6-12-21-17(19)15-7-9-16(10-8-15)18(20)22-13-11-14(3)5-2/h7-10,14H,4-6,11-13H2,1-3H3 |
| InChIKey | LUBSJCNTDHSIBW-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8btFsrUpNmU |
|---|---|
| Name | Terephthalic acid, butyl 3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-4-6-12-21-17(19)15-7-9-16(10-8-15)18(20)22-13-11-14(3)5-2/h7-10,14H,4-6,11-13H2,1-3H3 |
| InChIKey | LUBSJCNTDHSIBW-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCC)=O)C(OCCC(CC)C)=O |