| SpectraBase Compound ID | I8elVDDswmB |
|---|---|
| InChI | InChI=1S/C21H40O6/c1-16(12-14-24-5)18(3)26-20(22)10-8-7-9-11-21(23)27-19(4)17(2)13-15-25-6/h16-19H,7-15H2,1-6H3 |
| InChIKey | ZCJYYJAUDKDLKA-UHFFFAOYSA-N |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C21H40O6 |
| Exact Mass | 388.282489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dl7n0NX3Mc0 |
|---|---|
| Name | Pimelic acid, di(5-methoxy-3-methylpent-2-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.282489002 u |
| Formula | C21H40O6 |
| InChI | InChI=1S/C21H40O6/c1-16(12-14-24-5)18(3)26-20(22)10-8-7-9-11-21(23)27-19(4)17(2)13-15-25-6/h16-19H,7-15H2,1-6H3 |
| InChIKey | ZCJYYJAUDKDLKA-UHFFFAOYSA-N |
| Molecular Weight | 388.545 g/mol |
| SMILES | C(OC(C(C)CCOC)C)(=O)CCCCCC(OC(C(C)CCOC)C)=O |