| SpectraBase Compound ID | GG0eH8CJoSv |
|---|---|
| InChI | InChI=1S/C20H26O4/c1-4-7-8-9-12-16(6-3)24-20(22)18-14-11-10-13-17(18)19(21)23-15-5-2/h10-11,13-14,16H,4-7,12,15H2,1-3H3 |
| InChIKey | XOGPJHZPQRCASK-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 | HNvZJ19L1KK |
|---|---|
| Name | Phthalic acid, non-5-yn-3-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/c1-4-7-8-9-12-16(6-3)24-20(22)18-14-11-10-13-17(18)19(21)23-15-5-2/h10-11,13-14,16H,4-7,12,15H2,1-3H3 |
| InChIKey | XOGPJHZPQRCASK-UHFFFAOYSA-N |
| Molecular Weight | 330.424 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC(CC)CC#CCCC)=O)(=O)OCCC |