| SpectraBase Compound ID | Iw5sZXZ7la4 |
|---|---|
| InChI | InChI=1S/C20H29IO4/c1-2-3-4-5-6-7-15-24-19(22)9-8-10-20(23)25-16-17-11-13-18(21)14-12-17/h11-14H,2-10,15-16H2,1H3 |
| InChIKey | WWAKTLPRGPQIMN-UHFFFAOYSA-N |
| Mol Weight | 460.35 g/mol |
| Molecular Formula | C20H29IO4 |
| Exact Mass | 460.111054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3Sk3iNaDSnt |
|---|---|
| Name | Glutaric acid, 4-iodobenzyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.111054410 u |
| Formula | C20H29IO4 |
| InChI | InChI=1S/C20H29IO4/c1-2-3-4-5-6-7-15-24-19(22)9-8-10-20(23)25-16-17-11-13-18(21)14-12-17/h11-14H,2-10,15-16H2,1H3 |
| InChIKey | WWAKTLPRGPQIMN-UHFFFAOYSA-N |
| Molecular Weight | 460.352 g/mol |
| SMILES | C(OCC=1C=CC(=CC1)I)(=O)CCCC(OCCCCCCCC)=O |