| SpectraBase Compound ID | I99J8UmGXYC |
|---|---|
| InChI | InChI=1S/C27H48O4/c1-3-5-7-9-11-12-13-14-16-18-20-25-31-27(29)23-21-22-26(28)30-24-19-17-15-10-8-6-4-2/h3-17,19,21-25H2,1-2H3 |
| InChIKey | SZTSFSXGTQMLAF-UHFFFAOYSA-N |
| Mol Weight | 436.7 g/mol |
| Molecular Formula | C27H48O4 |
| Exact Mass | 436.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2y3HVB6CMZ9 |
|---|---|
| Name | Glutaric acid, nonyl tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.355260022 u |
| Formula | C27H48O4 |
| InChI | InChI=1S/C27H48O4/c1-3-5-7-9-11-12-13-14-16-18-20-25-31-27(29)23-21-22-26(28)30-24-19-17-15-10-8-6-4-2/h3-17,19,21-25H2,1-2H3 |
| InChIKey | SZTSFSXGTQMLAF-UHFFFAOYSA-N |
| Molecular Weight | 436.677 g/mol |
| SMILES | CCCCCCCCCOC(CCCC(OCC#CCCCCCCCCCC)=O)=O |