| SpectraBase Compound ID | FNfY06dlSbb |
|---|---|
| InChI | InChI=1S/C19H22O4/c1-3-14(2)23-19(21)17-12-8-7-11-16(17)18(20)22-13-15-9-5-4-6-10-15/h1,7-8,11-12,14-15H,4-6,9-10,13H2,2H3 |
| InChIKey | JXVBSSVCFGETKJ-UHFFFAOYSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C19H22O4 |
| Exact Mass | 314.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Nnonz9xyAf |
|---|---|
| Name | Phthalic acid, but-3-yn-2-yl cyclohexylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.151809184 u |
| Formula | C19H22O4 |
| InChI | InChI=1S/C19H22O4/c1-3-14(2)23-19(21)17-12-8-7-11-16(17)18(20)22-13-15-9-5-4-6-10-15/h1,7-8,11-12,14-15H,4-6,9-10,13H2,2H3 |
| InChIKey | JXVBSSVCFGETKJ-UHFFFAOYSA-N |
| Molecular Weight | 314.381 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OCC1CCCCC1)=O)C(OC(C#C)C)=O |