| SpectraBase Compound ID | C49u2MtEt0s |
|---|---|
| InChI | InChI=1S/C13H12O3/c1-3-7-11(13(15)16-2)12(14)10-8-5-4-6-9-10/h1,4-6,8-9,11H,7H2,2H3 |
| InChIKey | DNFJDVBRHIPZES-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C13H12O3 |
| Exact Mass | 216.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NczJrSkIHo |
|---|---|
| Name | Methyl 2-benzoylpent-4-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.078644243 u |
| Formula | C13H12O3 |
| InChI | InChI=1S/C13H12O3/c1-3-7-11(13(15)16-2)12(14)10-8-5-4-6-9-10/h1,4-6,8-9,11H,7H2,2H3 |
| InChIKey | DNFJDVBRHIPZES-UHFFFAOYSA-N |
| Molecular Weight | 216.236 g/mol |
| SMILES | COC(=O)C(CC#C)C(=O)C1=CC=CC=C1 |