| SpectraBase Compound ID | 9RwIH50mkN1 |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-6-12-21-16(19)13-8-10-14(11-9-13)17(20)22-15(7-2)18(3,4)5/h8-11,15H,6-7,12H2,1-5H3 |
| InChIKey | GFSUUEIJZZJFQT-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 | 21J2B2dKCS2 |
|---|---|
| Name | Terephthalic acid, 4,4-dimethylpent-2-yl propyl 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/c1-6-12-21-16(19)13-8-10-14(11-9-13)17(20)22-15(7-2)18(3,4)5/h8-11,15H,6-7,12H2,1-5H3 |
| InChIKey | GFSUUEIJZZJFQT-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OC(C(C)(C)C)CC |