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Trichloro-2,2,2-acetaldehyde benzyl hemiacetal

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

Trichloro-2,2,2-acetaldehyde benzyl hemiacetal
SpectraBase Compound ID 28psdDUWonJ
InChI InChI=1S/C9H9Cl3O2/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5,8,13H,6H2
InChIKey GNMCQEKACXEFFJ-UHFFFAOYSA-N
Mol Weight 255.53 g/mol
Molecular Formula C9H9Cl3O2
Exact Mass 253.966813 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7nshUCCUheu
Name Trichloro-2,2,2-acetaldehyde benzyl hemiacetal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.966812628 u
Formula C9H9Cl3O2
InChI InChI=1S/C9H9Cl3O2/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5,8,13H,6H2
InChIKey GNMCQEKACXEFFJ-UHFFFAOYSA-N
Molecular Weight 255.528 g/mol
SMILES C(C(OCC=1C=CC=CC1)O)(Cl)(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819526