| SpectraBase Compound ID | AOhA6JQNHQR |
|---|---|
| InChI | InChI=1S/C18H22O4/c1-4-9-15-10-6-7-11-16(15)22-18(20)13-8-12-17(19)21-14(3)5-2/h2,6-7,10-11,14H,4,8-9,12-13H2,1,3H3 |
| InChIKey | JBVFNOVTKZJBOP-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 | Lx1LO4mfN0n |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2-propylphenyl 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/c1-4-9-15-10-6-7-11-16(15)22-18(20)13-8-12-17(19)21-14(3)5-2/h2,6-7,10-11,14H,4,8-9,12-13H2,1,3H3 |
| InChIKey | JBVFNOVTKZJBOP-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC=1C(CCC)=CC=CC1)=O |