SpectraBase Compound ID | EiqqsTikefu |
---|---|
InChI | InChI=1S/C16H11IO/c17-16-14-9-5-4-6-12(14)10-11-15(16)18-13-7-2-1-3-8-13/h1-11H |
InChIKey | DOVBWBZNMIUFSI-UHFFFAOYSA-N |
Mol Weight | 346.17 g/mol |
Molecular Formula | C16H11IO |
Exact Mass | 345.98546 g/mol |
SpectraBase Spectrum ID | iAAxcIAk4M |
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Name | 1-Iodo-2-phenoxynaphthalene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 345.985459973 u |
Formula | C16H11IO |
InChI | InChI=1S/C16H11IO/c17-16-14-9-5-4-6-12(14)10-11-15(16)18-13-7-2-1-3-8-13/h1-11H |
InChIKey | DOVBWBZNMIUFSI-UHFFFAOYSA-N |
Molecular Weight | 346.167 g/mol |
SMILES | C1=CC(OC=2C=CC=CC2)=C(C=2C1=CC=CC2)I |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921655 |