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2,2,4-Trichloro-4-phenylbutanal
SpectraBase Compound ID F2fTInpvKvf
InChI InChI=1S/C10H9Cl3O/c11-9(6-10(12,13)7-14)8-4-2-1-3-5-8/h1-5,7,9H,6H2
InChIKey BBTLJFYVORSTJN-UHFFFAOYSA-N
Mol Weight 251.54 g/mol
Molecular Formula C10H9Cl3O
Exact Mass 249.971898 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JDA2wNx3Nto
Name 2,2,4-Trichloro-4-phenylbutanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.971898009 u
Formula C10H9Cl3O
InChI InChI=1S/C10H9Cl3O/c11-9(6-10(12,13)7-14)8-4-2-1-3-5-8/h1-5,7,9H,6H2
InChIKey BBTLJFYVORSTJN-UHFFFAOYSA-N
Molecular Weight 251.540 g/mol
SMILES C(C(CC(C=1C=CC=CC1)Cl)(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931447