SpectraBase Compound ID | 4AKUEnf2jCO |
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InChI | InChI=1S/C9H15IO2/c10-7-8-3-1-2-4-9(8)11-5-6-12-9/h8H,1-7H2 |
InChIKey | DZHOTZZBFDVGND-UHFFFAOYSA-N |
Mol Weight | 282.12 g/mol |
Molecular Formula | C9H15IO2 |
Exact Mass | 282.011675 g/mol |
SpectraBase Spectrum ID | 5IZaR38YdKk |
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Name | 6-(Iodomethyl)-1,4-dioxaspiro[4.5]decane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 282.011674721 u |
Formula | C9H15IO2 |
InChI | InChI=1S/C9H15IO2/c10-7-8-3-1-2-4-9(8)11-5-6-12-9/h8H,1-7H2 |
InChIKey | DZHOTZZBFDVGND-UHFFFAOYSA-N |
Molecular Weight | 282.121 g/mol |
SMILES | C12(OCCO2)CCCCC1CI |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825633 |