| SpectraBase Compound ID | Bfjo13HZ7PW |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-3-4-5-6-9-16-25-21(23)18-12-14-19(15-13-18)22(24)26-20-11-8-7-10-17(20)2/h7-8,10-15H,3-6,9,16H2,1-2H3 |
| InChIKey | DICDCXBSGJTPNC-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 | 59FgbZT7xyR |
|---|---|
| Name | Terephthalic acid, heptyl 2-methylphenyl 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/c1-3-4-5-6-9-16-25-21(23)18-12-14-19(15-13-18)22(24)26-20-11-8-7-10-17(20)2/h7-8,10-15H,3-6,9,16H2,1-2H3 |
| InChIKey | DICDCXBSGJTPNC-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCC)=O)C(OC1=CC=CC=C1C)=O |