| SpectraBase Compound ID | Hslwe1NfO7e |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-4-7-9-10-13-17(6-3)23-19(21)15-12-11-14-18(20)22-16-8-5-2/h17H,4-8,11-16H2,1-3H3 |
| InChIKey | PEBBVMRERHHHDC-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89qo9U57OcL |
|---|---|
| Name | Adipic acid, butyl non-5-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-4-7-9-10-13-17(6-3)23-19(21)15-12-11-14-18(20)22-16-8-5-2/h17H,4-8,11-16H2,1-3H3 |
| InChIKey | PEBBVMRERHHHDC-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C(C(OC(=O)CCCCC(OCCCC)=O)CC#CCCC)C |