| SpectraBase Compound ID | AkEkQHUr9yO |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-4-13(3)19-15(17)10-7-11-16(18)20-14-9-6-5-8-12(14)2/h1,5-6,8-9,13H,7,10-11H2,2-3H3 |
| InChIKey | KYTLARJISKYBOD-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KT2PRmPiaW9 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c1-4-13(3)19-15(17)10-7-11-16(18)20-14-9-6-5-8-12(14)2/h1,5-6,8-9,13H,7,10-11H2,2-3H3 |
| InChIKey | KYTLARJISKYBOD-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC=1C(C)=CC=CC1)=O |