| SpectraBase Compound ID | HBiX6tF9zVq |
|---|---|
| InChI | InChI=1S/C19H24O4/c1-4-7-8-9-12-15(5-2)23-19(21)17-14-11-10-13-16(17)18(20)22-6-3/h10-11,13-15H,4-7,12H2,1-3H3 |
| InChIKey | MICCKLDCPJEWIU-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C19H24O4 |
| Exact Mass | 316.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tkDXBHWfhX |
|---|---|
| Name | Phthalic acid, ethyl non-5-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.167459249 u |
| Formula | C19H24O4 |
| InChI | InChI=1S/C19H24O4/c1-4-7-8-9-12-15(5-2)23-19(21)17-14-11-10-13-16(17)18(20)22-6-3/h10-11,13-15H,4-7,12H2,1-3H3 |
| InChIKey | MICCKLDCPJEWIU-UHFFFAOYSA-N |
| Molecular Weight | 316.397 g/mol |
| SMILES | C1(=CC=CC=C1C(OC(CC)CC#CCCC)=O)C(=O)OCC |