| SpectraBase Compound ID | 74qGdo1WQnQ |
|---|---|
| InChI | InChI=1S/C20H26O4/c1-5-7-10-16(14-15(3)4)24-20(22)18-12-9-8-11-17(18)19(21)23-13-6-2/h8-9,11-12,15-16H,5-6,13-14H2,1-4H3 |
| InChIKey | CPZWNUQTZYIYCP-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 | CWe33n3fKwR |
|---|---|
| Name | Phthalic acid, 7-methyloct-3-yn-5-yl propyl 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/c1-5-7-10-16(14-15(3)4)24-20(22)18-12-9-8-11-17(18)19(21)23-13-6-2/h8-9,11-12,15-16H,5-6,13-14H2,1-4H3 |
| InChIKey | CPZWNUQTZYIYCP-UHFFFAOYSA-N |
| Molecular Weight | 330.424 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(OC(C#CCC)CC(C)C)=O)(OCCC)=O |