SpectraBase Compound ID | 6SV24KXmONp |
---|---|
InChI | InChI=1S/C14H9F/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H |
InChIKey | QANDOICOKGBRHR-UHFFFAOYSA-N |
Mol Weight | 196.22 g/mol |
Molecular Formula | C14H9F |
Exact Mass | 196.068828 g/mol |
SpectraBase Spectrum ID | GGB0nuATGs5 |
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Name | (2-Fluorophenyl)phenylacetylene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 196.068828453 u |
Formula | C14H9F |
InChI | InChI=1S/C14H9F/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H |
InChIKey | QANDOICOKGBRHR-UHFFFAOYSA-N |
Molecular Weight | 196.224 g/mol |
SMILES | C(#CC=1C(=CC=CC1)F)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922465 |