| SpectraBase Compound ID | BloF5ndwK7O |
|---|---|
| InChI | InChI=1S/C18H25IO4/c1-4-5-16(13(2)3)23-18(21)11-10-17(20)22-12-14-6-8-15(19)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3 |
| InChIKey | HUMOIHSHRDDJRX-UHFFFAOYSA-N |
| Mol Weight | 432.3 g/mol |
| Molecular Formula | C18H25IO4 |
| Exact Mass | 432.079754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8aOeonGKt6X |
|---|---|
| Name | Succinic acid, 4-iodobenzyl 2-methylhex-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.079754281 u |
| Formula | C18H25IO4 |
| InChI | InChI=1S/C18H25IO4/c1-4-5-16(13(2)3)23-18(21)11-10-17(20)22-12-14-6-8-15(19)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3 |
| InChIKey | HUMOIHSHRDDJRX-UHFFFAOYSA-N |
| Molecular Weight | 432.298 g/mol |
| SMILES | C1(=CC=C(C=C1)COC(=O)CCC(OC(CCC)C(C)C)=O)I |