| SpectraBase Compound ID | DYQ9RdR1eSs |
|---|---|
| InChI | InChI=1S/C20H24O4/c1-6-23-19(21)17-9-7-8-10-18(17)20(22)24-16(13-15(4)5)12-11-14(2)3/h7-10,15-16H,2,6,13H2,1,3-5H3 |
| InChIKey | XEOUXSLLZRKAEM-UHFFFAOYSA-N |
| Mol Weight | 328.41 g/mol |
| Molecular Formula | C20H24O4 |
| Exact Mass | 328.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K1MrdCRNPRD |
|---|---|
| Name | Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.167459249 u |
| Formula | C20H24O4 |
| InChI | InChI=1S/C20H24O4/c1-6-23-19(21)17-9-7-8-10-18(17)20(22)24-16(13-15(4)5)12-11-14(2)3/h7-10,15-16H,2,6,13H2,1,3-5H3 |
| InChIKey | XEOUXSLLZRKAEM-UHFFFAOYSA-N |
| Molecular Weight | 328.408 g/mol |
| SMILES | CCOC(C1=C(C=CC=C1)C(OC(CC(C)C)C#CC(C)=C)=O)=O |