SpectraBase Compound ID | 791y8bNn4t |
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InChI | InChI=1S/C9H8I2O/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6H,1H3 |
InChIKey | GINQVCYTSCQYSA-UHFFFAOYSA-N |
Mol Weight | 385.97 g/mol |
Molecular Formula | C9H8I2O |
Exact Mass | 385.866455 g/mol |
SpectraBase Spectrum ID | HgtJQWMJWHB |
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Name | (2,2-Diiodo-1-methoxy-vinyl)benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 385.866454877 u |
Formula | C9H8I2O |
InChI | InChI=1S/C9H8I2O/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6H,1H3 |
InChIKey | GINQVCYTSCQYSA-UHFFFAOYSA-N |
Molecular Weight | 385.971 g/mol |
SMILES | C(=C(C1=CC=CC=C1)OC)(I)I |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820714 |