| SpectraBase Compound ID | 6T9Fp6T2b9N |
|---|---|
| InChI | InChI=1S/C17H21IO4/c1-4-11-17(15(19)21-5-2,16(20)22-6-3)12-13-9-7-8-10-14(13)18/h4,7-10H,1,5-6,11-12H2,2-3H3 |
| InChIKey | GVPYYQBMUUSKMX-UHFFFAOYSA-N |
| Mol Weight | 416.26 g/mol |
| Molecular Formula | C17H21IO4 |
| Exact Mass | 416.048454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Mu2KwrUdHT |
|---|---|
| Name | 2-Allyl-2-(2-iodobenzyl)malonic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.048454152 u |
| Formula | C17H21IO4 |
| InChI | InChI=1S/C17H21IO4/c1-4-11-17(15(19)21-5-2,16(20)22-6-3)12-13-9-7-8-10-14(13)18/h4,7-10H,1,5-6,11-12H2,2-3H3 |
| InChIKey | GVPYYQBMUUSKMX-UHFFFAOYSA-N |
| Molecular Weight | 416.255 g/mol |
| SMILES | C(CC=1C(I)=CC=CC1)(C(=O)OCC)(C(=O)OCC)CC=C |