| SpectraBase Compound ID | 8mwc8yGRToP |
|---|---|
| InChI | InChI=1S/C21H31IO4/c1-2-3-4-5-6-7-10-16-25-20(23)14-11-15-21(24)26-17-18-12-8-9-13-19(18)22/h8-9,12-13H,2-7,10-11,14-17H2,1H3 |
| InChIKey | YCHWALCBXWZQQA-UHFFFAOYSA-N |
| Mol Weight | 474.38 g/mol |
| Molecular Formula | C21H31IO4 |
| Exact Mass | 474.126704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERyNJqESMeW |
|---|---|
| Name | Glutaric acid, 2-iodobenzyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.126704474 u |
| Formula | C21H31IO4 |
| InChI | InChI=1S/C21H31IO4/c1-2-3-4-5-6-7-10-16-25-20(23)14-11-15-21(24)26-17-18-12-8-9-13-19(18)22/h8-9,12-13H,2-7,10-11,14-17H2,1H3 |
| InChIKey | YCHWALCBXWZQQA-UHFFFAOYSA-N |
| Molecular Weight | 474.379 g/mol |
| SMILES | C(OCC1=C(C=CC=C1)I)(=O)CCCC(OCCCCCCCCC)=O |