SpectraBase Compound ID | BCtP2dqOoyg |
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InChI | InChI=1S/C20H17Cl/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2 |
InChIKey | OMVPWPGLZIBJJS-UHFFFAOYSA-N |
Mol Weight | 292.81 g/mol |
Molecular Formula | C20H17Cl |
Exact Mass | 292.101878 g/mol |
SpectraBase Spectrum ID | 3E7yWdhM81Q |
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Name | 2-Chloro-1,1,1-triphenylethane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 292.101878247 u |
Formula | C20H17Cl |
InChI | InChI=1S/C20H17Cl/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2 |
InChIKey | OMVPWPGLZIBJJS-UHFFFAOYSA-N |
SMILES | C(C1=CC=CC=C1)(C=1C=CC=CC1)(C=1C=CC=CC1)CCl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968347 |