| SpectraBase Compound ID | LoY3NS8t5FF |
|---|---|
| InChI | InChI=1S/C19H24O4/c1-5-9-16(6-2)22-18(20)12-8-13-19(21)23-17-11-7-10-14(3)15(17)4/h7,10-11,16H,6,8,12-13H2,1-4H3 |
| InChIKey | UQFJBSVQVNQKAC-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C19H24O4 |
| Exact Mass | 316.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJQAdrWxFv1 |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.167459249 u |
| Formula | C19H24O4 |
| InChI | InChI=1S/C19H24O4/c1-5-9-16(6-2)22-18(20)12-8-13-19(21)23-17-11-7-10-14(3)15(17)4/h7,10-11,16H,6,8,12-13H2,1-4H3 |
| InChIKey | UQFJBSVQVNQKAC-UHFFFAOYSA-N |
| Molecular Weight | 316.397 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC1=C(C(C)=CC=C1)C)=O |