| SpectraBase Compound ID | GdMUSImybBp |
|---|---|
| InChI | InChI=1S/C20H26O4/c1-4-7-8-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16(6-3)12-5-2/h9-10,13-14,16H,4,6-8,11,15H2,1-3H3 |
| InChIKey | YTQXCUAFEBYSFX-UHFFFAOYSA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C20H26O4 |
| Exact Mass | 330.183109 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 | C0NyyZZqrHq |
|---|---|
| Name | Phthalic acid, hex-2-yn-4-yl hexyl 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/c1-4-7-8-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16(6-3)12-5-2/h9-10,13-14,16H,4,6-8,11,15H2,1-3H3 |
| InChIKey | YTQXCUAFEBYSFX-UHFFFAOYSA-N |
| Molecular Weight | 330.424 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(=O)OCCCCCC)(OC(CC)C#CC)=O |