| SpectraBase Compound ID | 33NqP3s1aXK |
|---|---|
| InChI | InChI=1S/C16H8IN3/c17-16-4-2-1-3-11(16)5-12-6-14(9-19)15(10-20)7-13(12)8-18/h1-4,6-7H,5H2 |
| InChIKey | UZPDKSOWZYPXBS-UHFFFAOYSA-N |
| Mol Weight | 369.17 g/mol |
| Molecular Formula | C16H8IN3 |
| Exact Mass | 368.976292 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7OQ3PssGEtS |
|---|---|
| Name | 5-(2-iodobenzyl)benzene-1,2,4-tricarbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H8IN3 |
| InChI | InChI=1S/C16H8IN3/c17-16-4-2-1-3-11(16)5-12-6-14(9-19)15(10-20)7-13(12)8-18/h1-4,6-7H,5H2 |
| InChIKey | UZPDKSOWZYPXBS-UHFFFAOYSA-N |
| Molecular Weight | 369.165 g/mol |
| SMILES | c1(c(cc(c(c1)Cc1c(cccc1)I)C#N)C#N)C#N |
| SPLASH | splash10-0006-0090000000-bff9da87d843034ace53 |
| Source of Spectrum | A1-17-4396/SM31-7c |
| Wiley ID | 1802339 |