| SpectraBase Compound ID | D2tP9U29nH |
|---|---|
| InChI | InChI=1S/C18H14O4/c1-3-13(2)21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h1,4-13H,2H3 |
| InChIKey | USTYOIPZLONXMA-UHFFFAOYSA-N |
| Mol Weight | 294.31 g/mol |
| Molecular Formula | C18H14O4 |
| Exact Mass | 294.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JR2EZ4FDHx6 |
|---|---|
| Name | Phthalic acid, but-3-yn-2-yl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.089208927 u |
| Formula | C18H14O4 |
| InChI | InChI=1S/C18H14O4/c1-3-13(2)21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h1,4-13H,2H3 |
| InChIKey | USTYOIPZLONXMA-UHFFFAOYSA-N |
| Molecular Weight | 294.306 g/mol |
| SMILES | C(OC(C#C)C)(=O)C1=C(C=CC=C1)C(OC1=CC=CC=C1)=O |