| SpectraBase Compound ID | ILk8lfULbN2 |
|---|---|
| InChI | InChI=1S/C10H9I/c1-4-9-5-7(2)8(3)6-10(9)11/h1,5-6H,2-3H3 |
| InChIKey | PCJMQUAOMJRFEZ-UHFFFAOYSA-N |
| Mol Weight | 256.09 g/mol |
| Molecular Formula | C10H9I |
| Exact Mass | 255.974895 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Aifegd202ue |
|---|---|
| Name | 1-Ethynyl-2-iodo-4,5-dimethylbenzene |
| Comments | Removed - expert review: contamination (sulfur)) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H9I |
| InChI | InChI=1S/C10H9I/c1-4-9-5-7(2)8(3)6-10(9)11/h1,5-6H,2-3H3 |
| InChIKey | PCJMQUAOMJRFEZ-UHFFFAOYSA-N |
| Molecular Weight | 256.086 g/mol |
| SMILES | c1(c(cc(c(c1)C)C)I)C#C |
| SPLASH | splash10-0a6r-0690000000-4efb15139d53d1212e08 |
| Source of Spectrum | CV-2004-1529-3 |
| Wiley ID | 1611562 |