| SpectraBase Compound ID | Iw9C8tPpF1f |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-4-7-9-10-11-17-26-22(24)19-14-12-15-20(18-19)23(25)27-21(13-6-3)16-8-5-2/h12,14-15,18,21H,4-11,13,16-17H2,1-3H3 |
| InChIKey | DJKMOTQFFVKFBU-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FlwYaEmiTmn |
|---|---|
| Name | Isophthalic acid, heptyl 4-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-4-7-9-10-11-17-26-22(24)19-14-12-15-20(18-19)23(25)27-21(13-6-3)16-8-5-2/h12,14-15,18,21H,4-11,13,16-17H2,1-3H3 |
| InChIKey | DJKMOTQFFVKFBU-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | CCCCCCCOC(C=1C=C(C(OC(CCC)CCCC)=O)C=CC1)=O |