| SpectraBase Compound ID | KhgSP6DsF5i |
|---|---|
| InChI | InChI=1S/C18H25IO4/c1-2-3-4-5-12-22-17(20)10-7-11-18(21)23-14-15-8-6-9-16(19)13-15/h6,8-9,13H,2-5,7,10-12,14H2,1H3 |
| InChIKey | HKPMCRLFKHSMMG-UHFFFAOYSA-N |
| Mol Weight | 432.3 g/mol |
| Molecular Formula | C18H25IO4 |
| Exact Mass | 432.079754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8K5bYO211qQ |
|---|---|
| Name | Glutaric acid, hexyl 3-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.079754281 u |
| Formula | C18H25IO4 |
| InChI | InChI=1S/C18H25IO4/c1-2-3-4-5-12-22-17(20)10-7-11-18(21)23-14-15-8-6-9-16(19)13-15/h6,8-9,13H,2-5,7,10-12,14H2,1H3 |
| InChIKey | HKPMCRLFKHSMMG-UHFFFAOYSA-N |
| Molecular Weight | 432.298 g/mol |
| SMILES | C(OCC1=CC=CC(=C1)I)(=O)CCCC(OCCCCCC)=O |