| SpectraBase Compound ID | J1pf0vWZgVM |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-5-12(3)19-15(17)9-10-16(18)20-14-8-6-7-11(2)13(14)4/h1,6-8,12H,9-10H2,2-4H3 |
| InChIKey | VAVKTOJIXWXKDO-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 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 | Dl12oYfB598 |
|---|---|
| Name | Succinic acid, but-3-yn-2-yl 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c1-5-12(3)19-15(17)9-10-16(18)20-14-8-6-7-11(2)13(14)4/h1,6-8,12H,9-10H2,2-4H3 |
| InChIKey | VAVKTOJIXWXKDO-UHFFFAOYSA-N |
| SMILES | C(CC(OC(C#C)C)=O)C(OC1=C(C(C)=CC=C1)C)=O |