| SpectraBase Compound ID | CMqgm6lEb8B |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-13(3)11-21-17(19)15-7-9-16(10-8-15)18(20)22-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3 |
| InChIKey | DBIGTHIPQHWRML-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 | EXjUGJGoxsV |
|---|---|
| Name | Terephthalic acid, di(2-methylbutyl) 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/c1-5-13(3)11-21-17(19)15-7-9-16(10-8-15)18(20)22-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3 |
| InChIKey | DBIGTHIPQHWRML-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(COC(C1=CC=C(C=C1)C(OCC(CC)C)=O)=O)(CC)C |