SpectraBase Compound ID | 4ccB1e037S9 |
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InChI | InChI=1S/C10H11IO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-7H,1-2H3/b8-7- |
InChIKey | ZKFBRLWJHBMFEE-FPLPWBNLSA-N |
Mol Weight | 274.1 g/mol |
Molecular Formula | C10H11IO |
Exact Mass | 273.98546 g/mol |
SpectraBase Spectrum ID | 75Jl5EkB7b0 |
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Name | 1-[(Z)-2-Iodanylprop-1-enyl]-4-methoxy-benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 273.985459973 u |
Formula | C10H11IO |
InChI | InChI=1S/C10H11IO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-7H,1-2H3/b8-7- |
InChIKey | ZKFBRLWJHBMFEE-FPLPWBNLSA-N |
Molecular Weight | 274.101 g/mol |
SMILES | C\C(=C\C=1C=CC(=CC1)OC)I |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938997 |