| SpectraBase Compound ID | JSQY9yXJ7m |
|---|---|
| InChI | InChI=1S/C16H18O5/c1-5-12(3)20-15(17)8-9-16(18)21-14-10-11(2)6-7-13(14)19-4/h1,6-7,10,12H,8-9H2,2-4H3 |
| InChIKey | ZWKQJGKUYPFNDC-UHFFFAOYSA-N |
| Mol Weight | 290.31 g/mol |
| Molecular Formula | C16H18O5 |
| Exact Mass | 290.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 92J6nbRWJIe |
|---|---|
| Name | Succinic acid, but-3-yn-2-yl 2-methoxy-5-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.115423675 u |
| Formula | C16H18O5 |
| InChI | InChI=1S/C16H18O5/c1-5-12(3)20-15(17)8-9-16(18)21-14-10-11(2)6-7-13(14)19-4/h1,6-7,10,12H,8-9H2,2-4H3 |
| InChIKey | ZWKQJGKUYPFNDC-UHFFFAOYSA-N |
| SMILES | C(CC(OC(C#C)C)=O)C(OC1=C(C=CC(=C1)C)OC)=O |