SpectraBase Compound ID | Cd7bLMvGpw9 |
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InChI | InChI=1S/C9H17I/c1-2-3-4-5-6-7-8-9-10/h5-6H,2-4,7-9H2,1H3/b6-5+ |
InChIKey | LCRWVIGIUGXBMY-AATRIKPKSA-N |
Mol Weight | 252.14 g/mol |
Molecular Formula | C9H17I |
Exact Mass | 252.037496 g/mol |
SpectraBase Spectrum ID | 7ibDW8Bckcu |
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Name | (E)-1-Iodanylnon-4-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 252.037495547 u |
Formula | C9H17I |
InChI | InChI=1S/C9H17I/c1-2-3-4-5-6-7-8-9-10/h5-6H,2-4,7-9H2,1H3/b6-5+ |
InChIKey | LCRWVIGIUGXBMY-AATRIKPKSA-N |
Molecular Weight | 252.139 g/mol |
SMILES | C(\C=C\CCCI)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921972 |