| SpectraBase Compound ID | 5JfaDIt1xBY |
|---|---|
| InChI | InChI=1S/C17H18O4/c1-3-5-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-6-4-2/h1,5,7-11H,4,6,12-13H2,2H3/b9-5+ |
| InChIKey | DUKZNAYMUFXKOV-WEVVVXLNSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C17H18O4 |
| Exact Mass | 286.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPQzFvIMImB |
|---|---|
| Name | Phthalic acid, butyl pent-2-en-4-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.120509056 u |
| Formula | C17H18O4 |
| InChI | InChI=1S/C17H18O4/c1-3-5-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-6-4-2/h1,5,7-11H,4,6,12-13H2,2H3/b9-5+ |
| InChIKey | DUKZNAYMUFXKOV-WEVVVXLNSA-N |
| SMILES | C(CCOC(C1=C(C=CC=C1)C(OC\C=C\C#C)=O)=O)C |