| SpectraBase Compound ID | 3XcBDGDcvIQ |
|---|---|
| InChI | InChI=1S/C16H18O3/c1-4-8-12(2)19-16(18)15(13(3)17)11-14-9-6-5-7-10-14/h1,5-7,9-10,12,15H,8,11H2,2-3H3 |
| InChIKey | UMEIVGPVRJAPDW-UHFFFAOYSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C16H18O3 |
| Exact Mass | 258.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EplFjwF5ebO |
|---|---|
| Name | 2-Benzyl-3-keto-butyric acid 1-methylbut-3-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.125594437 u |
| Formula | C16H18O3 |
| InChI | InChI=1S/C16H18O3/c1-4-8-12(2)19-16(18)15(13(3)17)11-14-9-6-5-7-10-14/h1,5-7,9-10,12,15H,8,11H2,2-3H3 |
| InChIKey | UMEIVGPVRJAPDW-UHFFFAOYSA-N |
| Molecular Weight | 258.317 g/mol |
| SMILES | C(C(C(C)=O)CC=1C=CC=CC1)(=O)OC(CC#C)C |