| SpectraBase Compound ID | 6grmTQwNlJp |
|---|---|
| InChI | InChI=1S/C16H21IO4/c1-2-3-11-20-15(18)5-4-6-16(19)21-12-13-7-9-14(17)10-8-13/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | ISJURVKKXQKJON-UHFFFAOYSA-N |
| Mol Weight | 404.24 g/mol |
| Molecular Formula | C16H21IO4 |
| Exact Mass | 404.048454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwjjnHPhiyi |
|---|---|
| Name | Glutaric acid, butyl 4-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.048454152 u |
| Formula | C16H21IO4 |
| InChI | InChI=1S/C16H21IO4/c1-2-3-11-20-15(18)5-4-6-16(19)21-12-13-7-9-14(17)10-8-13/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | ISJURVKKXQKJON-UHFFFAOYSA-N |
| Molecular Weight | 404.244 g/mol |
| SMILES | C(OCC=1C=CC(=CC1)I)(=O)CCCC(OCCCC)=O |