SpectraBase Compound ID | HDQUbkv00Iy |
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InChI | InChI=1S/C15H11IO/c16-14(11-17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H |
InChIKey | DZUISQZSGFOYEP-UHFFFAOYSA-N |
Mol Weight | 334.16 g/mol |
Molecular Formula | C15H11IO |
Exact Mass | 333.98546 g/mol |
SpectraBase Spectrum ID | 6ahbPN4mCzT |
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Name | 2-Iodo-3,3-diphenylpropenal |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 333.985459973 u |
Formula | C15H11IO |
InChI | InChI=1S/C15H11IO/c16-14(11-17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H |
InChIKey | DZUISQZSGFOYEP-UHFFFAOYSA-N |
Molecular Weight | 334.156 g/mol |
SMILES | C(C(=C(C=1C=CC=CC1)C=1C=CC=CC1)I)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928019 |