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1,1,1-Trichloro-2,2-bis(2,5-dimethylphenyl)ethane

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1,1,1-Trichloro-2,2-bis(2,5-dimethylphenyl)ethane
SpectraBase Compound ID CvsaM4HD87x
InChI InChI=1S/C18H19Cl3/c1-11-5-7-13(3)15(9-11)17(18(19,20)21)16-10-12(2)6-8-14(16)4/h5-10,17H,1-4H3
InChIKey CRYBPMVWQOHSGV-UHFFFAOYSA-N
Mol Weight 341.71 g/mol
Molecular Formula C18H19Cl3
Exact Mass 340.055234 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BY6soYEmV4z
Name 1,1,1-Trichloro-2,2-bis(2,5-dimethylphenyl)ethane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.055233712 u
Formula C18H19Cl3
InChI InChI=1S/C18H19Cl3/c1-11-5-7-13(3)15(9-11)17(18(19,20)21)16-10-12(2)6-8-14(16)4/h5-10,17H,1-4H3
InChIKey CRYBPMVWQOHSGV-UHFFFAOYSA-N
Molecular Weight 341.709 g/mol
SMILES C(C1=C(C=CC(=C1)C)C)(C1=C(C=CC(=C1)C)C)C(Cl)(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890905