SpectraBase Compound ID | HnCLvWdw86C |
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InChI | InChI=1S/C6H11I/c1-5(2)6(3)4-7/h4-5H,1-3H3/b6-4+ |
InChIKey | VLSDFYVHVQVYNA-GQCTYLIASA-N |
Mol Weight | 210.06 g/mol |
Molecular Formula | C6H11I |
Exact Mass | 209.990545 g/mol |
SpectraBase Spectrum ID | CNYI5Mc1bm1 |
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Name | 2,3-Dimethyl-3-butenyl 4-iodide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 209.990545354 u |
Formula | C6H11I |
InChI | InChI=1S/C6H11I/c1-5(2)6(3)4-7/h4-5H,1-3H3/b6-4+ |
InChIKey | VLSDFYVHVQVYNA-GQCTYLIASA-N |
Molecular Weight | 210.058 g/mol |
SMILES | C(\C(=C\I)C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921813 |