| SpectraBase Compound ID | 4sIFvq7nDvG |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-4-7-9-10-13-18-26-22(24)20-16-11-12-17-21(20)23(25)27-19(14-6-3)15-8-5-2/h11-12,16-17,19H,4-10,13-15,18H2,1-3H3 |
| InChIKey | BJSJMWSZNIKVQS-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 | LrF3hNTbXkE |
|---|---|
| Name | Phthalic 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/c1-4-7-9-10-13-18-26-22(24)20-16-11-12-17-21(20)23(25)27-19(14-6-3)15-8-5-2/h11-12,16-17,19H,4-10,13-15,18H2,1-3H3 |
| InChIKey | BJSJMWSZNIKVQS-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | CCCCCCCOC(C1=C(C(OC(CCCC)CCC)=O)C=CC=C1)=O |