| SpectraBase Compound ID | AgBh38hWTG3 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-14(2)8-7-11-23-19(21)17-9-6-10-18(13-17)20(22)24-16(5)12-15(3)4/h6,9-10,13-16H,7-8,11-12H2,1-5H3 |
| InChIKey | WNESSKNIHAVGCG-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 | 41qBkPPRkaq |
|---|---|
| Name | Isophthalic acid, isohexyl 4-methylpent-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/c1-14(2)8-7-11-23-19(21)17-9-6-10-18(13-17)20(22)24-16(5)12-15(3)4/h6,9-10,13-16H,7-8,11-12H2,1-5H3 |
| InChIKey | WNESSKNIHAVGCG-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCC(C)C)C(OC(CC(C)C)C)=O |