| SpectraBase Compound ID | 4UyoPiU3I6q |
|---|---|
| InChI | InChI=1S/C17H15IO4/c1-2-21-16(19)14-8-3-4-9-15(14)17(20)22-11-12-6-5-7-13(18)10-12/h3-10H,2,11H2,1H3 |
| InChIKey | JNWVVDGCAPSTEC-UHFFFAOYSA-N |
| Mol Weight | 410.21 g/mol |
| Molecular Formula | C17H15IO4 |
| Exact Mass | 410.001504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ko0deXZ3buo |
|---|---|
| Name | Phthalic acid, ethyl 3-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.001503959 u |
| Formula | C17H15IO4 |
| InChI | InChI=1S/C17H15IO4/c1-2-21-16(19)14-8-3-4-9-15(14)17(20)22-11-12-6-5-7-13(18)10-12/h3-10H,2,11H2,1H3 |
| InChIKey | JNWVVDGCAPSTEC-UHFFFAOYSA-N |
| Molecular Weight | 410.207 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC1=CC=CC(=C1)I)=O)(OCC)=O |