| SpectraBase Compound ID | AizhzpUuiHQ |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-6-7-12-21-17(19)15-8-10-16(11-9-15)18(20)22-14(4)13(2)3/h8-11,13-14H,5-7,12H2,1-4H3 |
| InChIKey | NMOPJTFSBPDOGC-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 | CDU1CcA4xQw |
|---|---|
| Name | Terephthalic acid, 3-methylbut-2-yl pentyl 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/c1-5-6-7-12-21-17(19)15-8-10-16(11-9-15)18(20)22-14(4)13(2)3/h8-11,13-14H,5-7,12H2,1-4H3 |
| InChIKey | NMOPJTFSBPDOGC-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCCCC)=O)C(OC(C)C(C)C)=O |