| SpectraBase Compound ID | KtnCEBQ6m4P |
|---|---|
| InChI | InChI=1S/C17H23IO4/c1-2-3-4-7-12-21-16(19)10-11-17(20)22-13-14-8-5-6-9-15(14)18/h5-6,8-9H,2-4,7,10-13H2,1H3 |
| InChIKey | UPWAXJREDOSABG-UHFFFAOYSA-N |
| Mol Weight | 418.27 g/mol |
| Molecular Formula | C17H23IO4 |
| Exact Mass | 418.064104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4sCmSoIRe9Y |
|---|---|
| Name | Succinic acid, hexyl 2-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.064104217 u |
| Formula | C17H23IO4 |
| InChI | InChI=1S/C17H23IO4/c1-2-3-4-7-12-21-16(19)10-11-17(20)22-13-14-8-5-6-9-15(14)18/h5-6,8-9H,2-4,7,10-13H2,1H3 |
| InChIKey | UPWAXJREDOSABG-UHFFFAOYSA-N |
| Molecular Weight | 418.271 g/mol |
| SMILES | C(CCC(OCC=1C(I)=CC=CC1)=O)(OCCCCCC)=O |