| SpectraBase Compound ID | Lrv0q1K16gc |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-3-5-7-8-9-10-11-12-13-14-18-22-28-24(26)20-16-15-19-23(25)27-21-17-6-4-2/h3-13,15-17,19-22H2,1-2H3 |
| InChIKey | HSJQESOLJWMQLP-UHFFFAOYSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C24H42O4 |
| Exact Mass | 394.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7A6ng28WoyL |
|---|---|
| Name | Adipic acid, pentyl tridec-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.308309828 u |
| Formula | C24H42O4 |
| InChI | InChI=1S/C24H42O4/c1-3-5-7-8-9-10-11-12-13-14-18-22-28-24(26)20-16-15-19-23(25)27-21-17-6-4-2/h3-13,15-17,19-22H2,1-2H3 |
| InChIKey | HSJQESOLJWMQLP-UHFFFAOYSA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(=O)(CCCCC(OCCCCC)=O)OCC#CCCCCCCCCCC |