| SpectraBase Compound ID | BdTYHeFIcB9 |
|---|---|
| InChI | InChI=1S/C27H48O4/c1-4-7-9-11-12-13-14-15-16-17-19-24-30-26(28)22-20-23-27(29)31-25(6-3)21-18-10-8-5-2/h25H,4-9,11-17,19-24H2,1-3H3 |
| InChIKey | NEIUIKPLIAPDDE-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 | 8ckWWgySHGD |
|---|---|
| Name | Glutaric acid, non-5-yn-3-yl tridecyl 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/c1-4-7-9-11-12-13-14-15-16-17-19-24-30-26(28)22-20-23-27(29)31-25(6-3)21-18-10-8-5-2/h25H,4-9,11-17,19-24H2,1-3H3 |
| InChIKey | NEIUIKPLIAPDDE-UHFFFAOYSA-N |
| Molecular Weight | 436.677 g/mol |
| SMILES | C(C#CCC(OC(CCCC(OCCCCCCCCCCCCC)=O)=O)CC)CC |