| SpectraBase Compound ID | FsvfS4BTpyB |
|---|---|
| InChI | InChI=1S/C19H19IO4/c1-13(2)11-23-18(21)16-8-3-4-9-17(16)19(22)24-12-14-6-5-7-15(20)10-14/h3-10,13H,11-12H2,1-2H3 |
| InChIKey | PFSVTGBADPYZBZ-UHFFFAOYSA-N |
| Mol Weight | 438.26 g/mol |
| Molecular Formula | C19H19IO4 |
| Exact Mass | 438.032804 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOPQFepSXm1 |
|---|---|
| Name | Phthalic acid, 3-iodobenzyl isobutyl 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/c1-13(2)11-23-18(21)16-8-3-4-9-17(16)19(22)24-12-14-6-5-7-15(20)10-14/h3-10,13H,11-12H2,1-2H3 |
| InChIKey | PFSVTGBADPYZBZ-UHFFFAOYSA-N |
| Molecular Weight | 438.261 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC1=CC=CC(=C1)I)=O)(OCC(C)C)=O |