| SpectraBase Compound ID | GPuG4dj5jZZ |
|---|---|
| InChI | InChI=1S/C18H25IO4/c1-2-3-4-7-13-22-17(20)11-8-12-18(21)23-14-15-9-5-6-10-16(15)19/h5-6,9-10H,2-4,7-8,11-14H2,1H3 |
| InChIKey | UOETXWQMHMUDQR-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 | Ck2Uw9QTCrJ |
|---|---|
| Name | Glutaric acid, hexyl 2-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/c1-2-3-4-7-13-22-17(20)11-8-12-18(21)23-14-15-9-5-6-10-16(15)19/h5-6,9-10H,2-4,7-8,11-14H2,1H3 |
| InChIKey | UOETXWQMHMUDQR-UHFFFAOYSA-N |
| Molecular Weight | 432.298 g/mol |
| SMILES | C(OCC1=C(C=CC=C1)I)(=O)CCCC(OCCCCCC)=O |