| SpectraBase Compound ID | FrBTqHxME7h |
|---|---|
| InChI | InChI=1S/C25H44O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-29-25(27)21-17-16-20-24(26)28-22-18-8-6-4-2/h3-14,16-18,20-23H2,1-2H3 |
| InChIKey | SLTGLAMAGPTRPZ-UHFFFAOYSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C25H44O4 |
| Exact Mass | 408.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cFybCoEX02 |
|---|---|
| Name | Adipic acid, hexyl tridec-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.323959893 u |
| Formula | C25H44O4 |
| InChI | InChI=1S/C25H44O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-29-25(27)21-17-16-20-24(26)28-22-18-8-6-4-2/h3-14,16-18,20-23H2,1-2H3 |
| InChIKey | SLTGLAMAGPTRPZ-UHFFFAOYSA-N |
| Molecular Weight | 408.623 g/mol |
| SMILES | C(#CCOC(=O)CCCCC(OCCCCCC)=O)CCCCCCCCCC |