| SpectraBase Compound ID | 94kzTFUa5NN |
|---|---|
| InChI | InChI=1S/C23H35IO4/c1-2-3-4-5-6-7-8-9-10-13-18-27-22(25)16-17-23(26)28-19-20-14-11-12-15-21(20)24/h11-12,14-15H,2-10,13,16-19H2,1H3 |
| InChIKey | NHVUPBHDFFEOPX-UHFFFAOYSA-N |
| Mol Weight | 502.4 g/mol |
| Molecular Formula | C23H35IO4 |
| Exact Mass | 502.158005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 472kYqzWCTR |
|---|---|
| Name | Succinic acid, dodecyl 2-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 502.158004603 u |
| Formula | C23H35IO4 |
| InChI | InChI=1S/C23H35IO4/c1-2-3-4-5-6-7-8-9-10-13-18-27-22(25)16-17-23(26)28-19-20-14-11-12-15-21(20)24/h11-12,14-15H,2-10,13,16-19H2,1H3 |
| InChIKey | NHVUPBHDFFEOPX-UHFFFAOYSA-N |
| Molecular Weight | 502.433 g/mol |
| SMILES | C(CCC(OCC=1C(I)=CC=CC1)=O)(OCCCCCCCCCCCC)=O |