SpectraBase Compound ID | JuQdyCV9xnH |
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InChI | InChI=1S/C10H21I/c1-3-10(2)8-6-4-5-7-9-11/h10H,3-9H2,1-2H3/t10-/m0/s1 |
InChIKey | QHEBNWTWTRQZJM-JTQLQIEISA-N |
Mol Weight | 268.18 g/mol |
Molecular Formula | C10H21I |
Exact Mass | 268.068796 g/mol |
SpectraBase Spectrum ID | 5kmnQjbP9e6 |
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Name | (S)-7-Methylnonyl iodide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 268.068795676 u |
Formula | C10H21I |
InChI | InChI=1S/C10H21I/c1-3-10(2)8-6-4-5-7-9-11/h10H,3-9H2,1-2H3/t10-/m0/s1 |
InChIKey | QHEBNWTWTRQZJM-JTQLQIEISA-N |
Molecular Weight | 268.182 g/mol |
SMILES | C(I)CCCCC[C@](CC)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938895 |