| SpectraBase Compound ID | Kw1inzKeuyD |
|---|---|
| InChI | InChI=1S/C15H19IO4/c1-11(2)9-19-14(17)7-8-15(18)20-10-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | SFWDVLPTKKCXBN-UHFFFAOYSA-N |
| Mol Weight | 390.22 g/mol |
| Molecular Formula | C15H19IO4 |
| Exact Mass | 390.032804 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kbc2kSAhOSG |
|---|---|
| Name | Succinic acid, 4-iodobenzyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.032804088 u |
| Formula | C15H19IO4 |
| InChI | InChI=1S/C15H19IO4/c1-11(2)9-19-14(17)7-8-15(18)20-10-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | SFWDVLPTKKCXBN-UHFFFAOYSA-N |
| Molecular Weight | 390.217 g/mol |
| SMILES | C1(=CC=C(C=C1)COC(=O)CCC(OCC(C)C)=O)I |