| SpectraBase Compound ID | DhozjU45W2h |
|---|---|
| InChI | InChI=1S/C16H21IO4/c1-2-3-4-11-20-15(18)9-10-16(19)21-12-13-5-7-14(17)8-6-13/h5-8H,2-4,9-12H2,1H3 |
| InChIKey | RJAFDPJLJVSECJ-UHFFFAOYSA-N |
| Mol Weight | 404.24 g/mol |
| Molecular Formula | C16H21IO4 |
| Exact Mass | 404.048454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DduW6ujGZkb |
|---|---|
| Name | Succinic acid, 4-iodobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.048454152 u |
| Formula | C16H21IO4 |
| InChI | InChI=1S/C16H21IO4/c1-2-3-4-11-20-15(18)9-10-16(19)21-12-13-5-7-14(17)8-6-13/h5-8H,2-4,9-12H2,1H3 |
| InChIKey | RJAFDPJLJVSECJ-UHFFFAOYSA-N |
| Molecular Weight | 404.244 g/mol |
| SMILES | C1(=CC=C(C=C1)COC(=O)CCC(OCCCCC)=O)I |