| SpectraBase Compound ID | 54G4wEsmfx3 |
|---|---|
| InChI | InChI=1S/C18H22O4/c1-4-8-15(6-3)21-17(19)11-12-18(20)22-16-10-7-9-14(5-2)13-16/h7,9-10,13,15H,5-6,11-12H2,1-3H3 |
| InChIKey | IZBQCAZYFGBUAN-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C18H22O4 |
| Exact Mass | 302.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9a13DhMbaXw |
|---|---|
| Name | Succinic acid, hex-4-yn-3-yl 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.151809184 u |
| Formula | C18H22O4 |
| InChI | InChI=1S/C18H22O4/c1-4-8-15(6-3)21-17(19)11-12-18(20)22-16-10-7-9-14(5-2)13-16/h7,9-10,13,15H,5-6,11-12H2,1-3H3 |
| InChIKey | IZBQCAZYFGBUAN-UHFFFAOYSA-N |
| SMILES | C(CC(OC(CC)C#CC)=O)C(OC1=CC(=CC=C1)CC)=O |