| SpectraBase Compound ID | 5eLUEO4Xj2 |
|---|---|
| InChI | InChI=1S/C22H42O5/c1-4-6-8-10-14-20(15-13-18-25-3)27-22(24)17-12-16-21(23)26-19-11-9-7-5-2/h20H,4-19H2,1-3H3 |
| InChIKey | CHLMZOIBBSQEJH-UHFFFAOYSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C22H42O5 |
| Exact Mass | 386.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BGkCQlN2r3 |
|---|---|
| Name | Glutaric acid, hexyl 1-methoxydec-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.303224447 u |
| Formula | C22H42O5 |
| InChI | InChI=1S/C22H42O5/c1-4-6-8-10-14-20(15-13-18-25-3)27-22(24)17-12-16-21(23)26-19-11-9-7-5-2/h20H,4-19H2,1-3H3 |
| InChIKey | CHLMZOIBBSQEJH-UHFFFAOYSA-N |
| Molecular Weight | 386.573 g/mol |
| SMILES | COCCCC(OC(=O)CCCC(OCCCCCC)=O)CCCCCC |