| SpectraBase Compound ID | HkjICh6A2Q1 |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-3-4-5-6-9-15-25-21(23)18-12-10-13-19(16-18)22(24)26-20-14-8-7-11-17(20)2/h7-8,10-14,16H,3-6,9,15H2,1-2H3 |
| InChIKey | FJZDOCZHKLDGOI-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 | 2JZaSRKEXRs |
|---|---|
| Name | Isophthalic 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/c1-3-4-5-6-9-15-25-21(23)18-12-10-13-19(16-18)22(24)26-20-14-8-7-11-17(20)2/h7-8,10-14,16H,3-6,9,15H2,1-2H3 |
| InChIKey | FJZDOCZHKLDGOI-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCCCCCC)=O)(OC1=CC=CC=C1C)=O |