| SpectraBase Compound ID | D63tu7vqnjD |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-25-21(23)17-18-22(24)26-20(5-2)6-3/h20H,4-14,17-19H2,1-3H3 |
| InChIKey | NGDIBZXCEYWSDL-UHFFFAOYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K27oJGTRf6a |
|---|---|
| Name | Succinic acid, 3-pentyl tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-25-21(23)17-18-22(24)26-20(5-2)6-3/h20H,4-14,17-19H2,1-3H3 |
| InChIKey | NGDIBZXCEYWSDL-UHFFFAOYSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | CCCCCCCCCCC#CCOC(=O)CCC(OC(CC)CC)=O |