| SpectraBase Compound ID | A13WeuR79tX |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-2-3-4-5-6-10-17-25-21(23)18-13-15-19(16-14-18)22(24)26-20-11-8-7-9-12-20/h7-9,11-16H,2-6,10,17H2,1H3 |
| InChIKey | RECHUCGKNRFVIT-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHdAjtFI0VT |
|---|---|
| Name | Terephthalic acid, phenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-2-3-4-5-6-10-17-25-21(23)18-13-15-19(16-14-18)22(24)26-20-11-8-7-9-12-20/h7-9,11-16H,2-6,10,17H2,1H3 |
| InChIKey | RECHUCGKNRFVIT-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1)CCCCCCC |