| SpectraBase Compound ID | EVLKwathZWA |
|---|---|
| InChI | InChI=1S/C18H22O4/c1-5-14(4)21-17(19)11-8-12-18(20)22-16-10-7-6-9-15(16)13(2)3/h1,6-7,9-10,13-14H,8,11-12H2,2-4H3 |
| InChIKey | XZTGKVSFFUYXNO-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C18H22O4 |
| Exact Mass | 302.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpxhaInezUm |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.151809184 u |
| Formula | C18H22O4 |
| InChI | InChI=1S/C18H22O4/c1-5-14(4)21-17(19)11-8-12-18(20)22-16-10-7-6-9-15(16)13(2)3/h1,6-7,9-10,13-14H,8,11-12H2,2-4H3 |
| InChIKey | XZTGKVSFFUYXNO-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC=1C(C(C)C)=CC=CC1)=O |