| SpectraBase Compound ID | 9vZPtZHKEWB |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-6-7-8-9-13-23-19(21)17-11-10-12-18(14-17)20(22)24-16(4)15(2)3/h10-12,14-16H,5-9,13H2,1-4H3 |
| InChIKey | BOFLGYMVZPOXOJ-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hz5yc4pXAj |
|---|---|
| Name | Isophthalic acid, heptyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-5-6-7-8-9-13-23-19(21)17-11-10-12-18(14-17)20(22)24-16(4)15(2)3/h10-12,14-16H,5-9,13H2,1-4H3 |
| InChIKey | BOFLGYMVZPOXOJ-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(C(OC(C1=CC(C(OCCCCCCC)=O)=CC=C1)=O)C)(C)C |