![5-Iodo-1-octyl-4-phenyl-1H-[1,2,3]triazole](/api/spectrum/3Ds5WUQyBM/structure.png?h=300&w=458 "5-Iodo-1-octyl-4-phenyl-1H-[1,2,3]triazole")
| SpectraBase Compound ID | 3wp0yHBVBrS |
|---|---|
| InChI | InChI=1S/C16H22IN3/c1-2-3-4-5-6-10-13-20-16(17)15(18-19-20)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3 |
| InChIKey | LMAGRGCSJSGMQA-UHFFFAOYSA-N |
| Mol Weight | 383.28 g/mol |
| Molecular Formula | C16H22IN3 |
| Exact Mass | 383.085843 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Ds5WUQyBM |
|---|---|
| Name | 5-Iodo-1-octyl-4-phenyl-1H-[1,2,3]triazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H22IN3 |
| InChI | InChI=1S/C16H22IN3/c1-2-3-4-5-6-10-13-20-16(17)15(18-19-20)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3 |
| InChIKey | LMAGRGCSJSGMQA-UHFFFAOYSA-N |
| Molecular Weight | 383.277 g/mol |
| SMILES | c1(nn[n](c1I)CCCCCCCC)-c1ccccc1 |
| SPLASH | splash10-00kf-3590000000-ffc665504def33ee0e85 |
| Source of Spectrum | CV-2005-1317-3 |
| Wiley ID | 1611708 |