| SpectraBase Compound ID | AW4eOyMz3Ox |
|---|---|
| InChI | InChI=1S/C19H16O4/c1-4-14(3)22-18(20)16-10-5-6-11-17(16)19(21)23-15-9-7-8-13(2)12-15/h1,5-12,14H,2-3H3 |
| InChIKey | WIPBOODXUPVWKZ-UHFFFAOYSA-N |
| Mol Weight | 308.33 g/mol |
| Molecular Formula | C19H16O4 |
| Exact Mass | 308.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2GmTL3ELOUW |
|---|---|
| Name | Phthalic acid, but-3-yn-2-yl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.104858991 u |
| Formula | C19H16O4 |
| InChI | InChI=1S/C19H16O4/c1-4-14(3)22-18(20)16-10-5-6-11-17(16)19(21)23-15-9-7-8-13(2)12-15/h1,5-12,14H,2-3H3 |
| InChIKey | WIPBOODXUPVWKZ-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC(C)=CC=C1)=O)C(OC(C#C)C)=O |