| SpectraBase Compound ID | E23S65ev7cg |
|---|---|
| InChI | InChI=1S/C19H19IO4/c1-2-3-11-23-18(21)16-9-4-5-10-17(16)19(22)24-13-14-7-6-8-15(20)12-14/h4-10,12H,2-3,11,13H2,1H3 |
| InChIKey | XYBMUFRHCBHSGY-UHFFFAOYSA-N |
| Mol Weight | 438.26 g/mol |
| Molecular Formula | C19H19IO4 |
| Exact Mass | 438.032804 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 | e66TE5AXAx |
|---|---|
| Name | Phthalic acid, butyl 3-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.032804088 u |
| Formula | C19H19IO4 |
| InChI | InChI=1S/C19H19IO4/c1-2-3-11-23-18(21)16-9-4-5-10-17(16)19(22)24-13-14-7-6-8-15(20)12-14/h4-10,12H,2-3,11,13H2,1H3 |
| InChIKey | XYBMUFRHCBHSGY-UHFFFAOYSA-N |
| Molecular Weight | 438.261 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC1=CC=CC(=C1)I)=O)(OCCCC)=O |