| SpectraBase Compound ID | AK56oLGCVdP |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-26-22(24)20-15-14-16-21(18-20)23(25)27-19(2)3/h14-16,18-19H,4-13,17H2,1-3H3 |
| InChIKey | OQGDJMPNGHXXRJ-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 | 37Sidq8v0h5 |
|---|---|
| Name | Isophthalic acid, dodecyl isopropyl 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/c1-4-5-6-7-8-9-10-11-12-13-17-26-22(24)20-15-14-16-21(18-20)23(25)27-19(2)3/h14-16,18-19H,4-13,17H2,1-3H3 |
| InChIKey | OQGDJMPNGHXXRJ-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C(OC(C1=CC(C(OCCCCCCCCCCCC)=O)=CC=C1)=O)(C)C |