| SpectraBase Compound ID | DcgiQleiIF3 |
|---|---|
| InChI | InChI=1S/C20H29IO4/c1-2-15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-16-17-11-13-18(21)14-12-17/h11-14H,2-10,15-16H2,1H3 |
| InChIKey | XJBNKSRNLFWHCD-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 | KNLJ1wZebUq |
|---|---|
| Name | Sebacic acid, 4-iodobenzyl propyl 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/c1-2-15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-16-17-11-13-18(21)14-12-17/h11-14H,2-10,15-16H2,1H3 |
| InChIKey | XJBNKSRNLFWHCD-UHFFFAOYSA-N |
| Molecular Weight | 460.352 g/mol |
| SMILES | C(CCCCCCC(OCCC)=O)CC(OCC1=CC=C(C=C1)I)=O |