| SpectraBase Compound ID | JT8twQTHUkz |
|---|---|
| InChI | InChI=1S/C6H6INO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3 |
| InChIKey | KRNGDJYQOKCQCD-UHFFFAOYSA-N |
| Mol Weight | 251.02 g/mol |
| Molecular Formula | C6H6INO2 |
| Exact Mass | 250.944323 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KEifyjhpr7H |
|---|---|
| Name | Methyl 4-iodo-1H-pyrrole-2-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6INO2 |
| InChI | InChI=1S/C6H6INO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3 |
| InChIKey | KRNGDJYQOKCQCD-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/acs.orglett.5b02345 |
| Molecular Weight | 251.023 g/mol |
| SMILES | [nH]1cc(cc1C(=O)OC)I |
| SPLASH | splash10-0uxr-1090000000-3741332f88934046940c |
| Source of Spectrum | A1-17-4782/SM15-2y |
| Wiley ID | 1802515 |