SpectraBase Compound ID | 7UwSJtOrCpR |
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InChI | InChI=1S/C14H12FI/c15-14(11-16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2 |
InChIKey | DQXWQYXPEBZKGA-UHFFFAOYSA-N |
Mol Weight | 326.15 g/mol |
Molecular Formula | C14H12FI |
Exact Mass | 325.996774 g/mol |
SpectraBase Spectrum ID | GL6xTD8ysfc |
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Name | 1-Fluoro-2-iodo-1,1-diphenylethane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 325.996773549 u |
Formula | C14H12FI |
InChI | InChI=1S/C14H12FI/c15-14(11-16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2 |
InChIKey | DQXWQYXPEBZKGA-UHFFFAOYSA-N |
Molecular Weight | 326.153 g/mol |
SMILES | C(C1=CC=CC=C1)(C=1C=CC=CC1)(F)CI |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923246 |