SpectraBase Compound ID | 8gN5LczoF6v |
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InChI | InChI=1S/C11H15IO/c1-9(8-12)11(13-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 |
InChIKey | OPLYSKUSUIFLSC-UHFFFAOYSA-N |
Mol Weight | 290.14 g/mol |
Molecular Formula | C11H15IO |
Exact Mass | 290.01676 g/mol |
SpectraBase Spectrum ID | FKVK8Uy5hIp |
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Name | 3-Iodo-1-methoxy-2-methyl-1-phenylpropane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 290.016760102 u |
Formula | C11H15IO |
InChI | InChI=1S/C11H15IO/c1-9(8-12)11(13-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 |
InChIKey | OPLYSKUSUIFLSC-UHFFFAOYSA-N |
Molecular Weight | 290.144 g/mol |
SMILES | C(C(CI)C)(C1=CC=CC=C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926711 |