SpectraBase Compound ID | GIia42XZVDa |
---|---|
InChI | InChI=1S/C8H15IO2/c1-6(10)11-5-7(9)8(2,3)4/h7H,5H2,1-4H3 |
InChIKey | UVHJDMLEYAFONI-UHFFFAOYSA-N |
Mol Weight | 270.11 g/mol |
Molecular Formula | C8H15IO2 |
Exact Mass | 270.011675 g/mol |
SpectraBase Spectrum ID | FrWBctBMvUK |
---|---|
Name | (2-Iodanyl-3,3-dimethyl-butyl) ethanoate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 270.011674721 u |
Formula | C8H15IO2 |
InChI | InChI=1S/C8H15IO2/c1-6(10)11-5-7(9)8(2,3)4/h7H,5H2,1-4H3 |
InChIKey | UVHJDMLEYAFONI-UHFFFAOYSA-N |
Molecular Weight | 270.110 g/mol |
SMILES | C(C)(=O)OCC(C(C)(C)C)I |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818635 |