| SpectraBase Compound ID | Ag9M3XCE1jn |
|---|---|
| InChI | InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-26-22(24)18-15-19-23(25)27-21-16-12-13-17-21/h21H,2-10,12-13,15-20H2,1H3 |
| InChIKey | KDCXAHMSJQDQCM-UHFFFAOYSA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C23H38O4 |
| Exact Mass | 378.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99uAQn1BqV5 |
|---|---|
| Name | Glutaric acid, cyclopentyl tridec-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.277009700 u |
| Formula | C23H38O4 |
| InChI | InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-26-22(24)18-15-19-23(25)27-21-16-12-13-17-21/h21H,2-10,12-13,15-20H2,1H3 |
| InChIKey | KDCXAHMSJQDQCM-UHFFFAOYSA-N |
| Molecular Weight | 378.553 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OC1CCCC1)=O |