| SpectraBase Compound ID | 20tpP8ALVXQ |
|---|---|
| InChI | InChI=1S/C19H27IO4/c1-2-3-4-5-6-14-23-18(21)8-7-9-19(22)24-15-16-10-12-17(20)13-11-16/h10-13H,2-9,14-15H2,1H3 |
| InChIKey | NSXJHRHGKUCIQD-UHFFFAOYSA-N |
| Mol Weight | 446.33 g/mol |
| Molecular Formula | C19H27IO4 |
| Exact Mass | 446.095404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6o5ANpudRbM |
|---|---|
| Name | Glutaric acid, heptyl 4-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.095404345 u |
| Formula | C19H27IO4 |
| InChI | InChI=1S/C19H27IO4/c1-2-3-4-5-6-14-23-18(21)8-7-9-19(22)24-15-16-10-12-17(20)13-11-16/h10-13H,2-9,14-15H2,1H3 |
| InChIKey | NSXJHRHGKUCIQD-UHFFFAOYSA-N |
| Molecular Weight | 446.325 g/mol |
| SMILES | C(OCC=1C=CC(=CC1)I)(=O)CCCC(OCCCCCCC)=O |