| SpectraBase Compound ID | 1xrZiDPATuK |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-7-9-16(8-5-2)22-18(20)15-12-10-14(11-13-15)17(19)21-6-3/h10-13,16H,4-9H2,1-3H3 |
| InChIKey | ICCQBMHOWSGLJK-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 | 8783j2T9rNK |
|---|---|
| Name | Terephthalic acid, ethyl 4-octyl 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/c1-4-7-9-16(8-5-2)22-18(20)15-12-10-14(11-13-15)17(19)21-6-3/h10-13,16H,4-9H2,1-3H3 |
| InChIKey | ICCQBMHOWSGLJK-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=CC(=CC=C1C(OC(CCCC)CCC)=O)C(OCC)=O |