| SpectraBase Compound ID | 5nK4sE0AFAN |
|---|---|
| InChI | InChI=1S/C23H40O4/c1-4-6-7-8-11-14-17-20-26-22(24)18-15-12-9-10-13-16-19-23(25)27-21(3)5-2/h2,21H,4,6-20H2,1,3H3 |
| InChIKey | WETSOVSQDZZPPT-UHFFFAOYSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C23H40O4 |
| Exact Mass | 380.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLNLreZHpHT |
|---|---|
| Name | Sebacic acid, but-3-yn-2-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.292659764 u |
| Formula | C23H40O4 |
| InChI | InChI=1S/C23H40O4/c1-4-6-7-8-11-14-17-20-26-22(24)18-15-12-9-10-13-16-19-23(25)27-21(3)5-2/h2,21H,4,6-20H2,1,3H3 |
| InChIKey | WETSOVSQDZZPPT-UHFFFAOYSA-N |
| Molecular Weight | 380.569 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCCC)=O)=O)(C#C)C |