| SpectraBase Compound ID | 8zgFsPimfuy |
|---|---|
| InChI | InChI=1S/C18H30O5/c1-5-8-16(6-2)23-18(20)10-7-9-17(19)22-14-12-15(3)11-13-21-4/h15-16H,6-7,9-14H2,1-4H3 |
| InChIKey | XMXVJZOWFJIWID-UHFFFAOYSA-N |
| Mol Weight | 326.43 g/mol |
| Molecular Formula | C18H30O5 |
| Exact Mass | 326.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9BdpWNf6wfw |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 3-methyl-5-methoxypentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.209324061 u |
| Formula | C18H30O5 |
| InChI | InChI=1S/C18H30O5/c1-5-8-16(6-2)23-18(20)10-7-9-17(19)22-14-12-15(3)11-13-21-4/h15-16H,6-7,9-14H2,1-4H3 |
| InChIKey | XMXVJZOWFJIWID-UHFFFAOYSA-N |
| Molecular Weight | 326.433 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OCCC(C)CCOC)=O |