SpectraBase Compound ID | 1VRWvaHVSiO |
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InChI | InChI=1S/C11H23BrO/c1-4-10(12)8-6-7-9-11(5-2)13-3/h10-11H,4-9H2,1-3H3 |
InChIKey | VIEBBPIPJCUTML-UHFFFAOYSA-N |
Mol Weight | 251.21 g/mol |
Molecular Formula | C11H23BrO |
Exact Mass | 250.093228 g/mol |
SpectraBase Spectrum ID | BRdZrTj4I4c |
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Name | Ether, 6-bromo-1-ethyloctyl methyl |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 250.093228360 u |
Formula | C11H23BrO |
InChI | InChI=1S/C11H23BrO/c1-4-10(12)8-6-7-9-11(5-2)13-3/h10-11H,4-9H2,1-3H3 |
InChIKey | VIEBBPIPJCUTML-UHFFFAOYSA-N |
Molecular Weight | 251.208 g/mol |
SMILES | C(C(CC)OC)CCCC(CC)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881667 |