| SpectraBase Compound ID | 9y8f4jx8UP6 |
|---|---|
| InChI | InChI=1S/C20H26O4/c1-5-10-16(6-2)24-20(22)18-13-8-7-12-17(18)19(21)23-14-9-11-15(3)4/h7-8,12-13,15-16H,6,9,11,14H2,1-4H3 |
| InChIKey | HAJCTFFXTIESSG-UHFFFAOYSA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C20H26O4 |
| Exact Mass | 330.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12nvGsU4Ppg |
|---|---|
| Name | Phthalic acid, hex-2-yn-4-yl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.183109313 u |
| Formula | C20H26O4 |
| InChI | InChI=1S/C20H26O4/c1-5-10-16(6-2)24-20(22)18-13-8-7-12-17(18)19(21)23-14-9-11-15(3)4/h7-8,12-13,15-16H,6,9,11,14H2,1-4H3 |
| InChIKey | HAJCTFFXTIESSG-UHFFFAOYSA-N |
| Molecular Weight | 330.424 g/mol |
| SMILES | C(CCOC(C1=CC=CC=C1C(OC(CC)C#CC)=O)=O)C(C)C |