![Ethyl 8-Iodo-6-oxo-6H-benzo[c]chromene-2-carboxylate](/api/spectrum/nmdPMTJ4nh/structure.png?h=300&w=458 "Ethyl 8-Iodo-6-oxo-6H-benzo[c]chromene-2-carboxylate")
| SpectraBase Compound ID | HoXnNF95mfx |
|---|---|
| InChI | InChI=1S/C16H11IO4/c1-2-20-15(18)9-3-6-14-12(7-9)11-5-4-10(17)8-13(11)16(19)21-14/h3-8H,2H2,1H3 |
| InChIKey | TZKWGUUNYXYBAO-UHFFFAOYSA-N |
| Mol Weight | 394.16 g/mol |
| Molecular Formula | C16H11IO4 |
| Exact Mass | 393.970204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nmdPMTJ4nh |
|---|---|
| Name | Ethyl 8-iodo-6-oxo-6H-benzo[C]chromene-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.970203830 u |
| Formula | C16H11IO4 |
| InChI | InChI=1S/C16H11IO4/c1-2-20-15(18)9-3-6-14-12(7-9)11-5-4-10(17)8-13(11)16(19)21-14/h3-8H,2H2,1H3 |
| InChIKey | TZKWGUUNYXYBAO-UHFFFAOYSA-N |
| Molecular Weight | 394.164 g/mol |
| SMILES | C1(C2=C(C=CC(=C2)I)C=2C(O1)=CC=C(C(=O)OCC)C2)=O |