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Alpha,alpha,alpha-trichlorotoluene
SpectraBase Compound ID IOSid7MhvNk
InChI InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey XEMRAKSQROQPBR-UHFFFAOYSA-N
Mol Weight 195.48 g/mol
Molecular Formula C7H5Cl3
Exact Mass 193.945683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JI7GfVBHROy
Name Trichloromethylbenzene
CAS Registry Number 98-07-7
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 193.945683261 u
Formula C7H5Cl3
InChI InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey XEMRAKSQROQPBR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 195.476 g/mol
Nominal Mass 194 u
Quality 940
Retention Index 1256
SMILES C(C=1C=CC=CC1)(Cl)(Cl)Cl
SPLASH splash10-0bt9-3900000000-2ffba21d9cf2abd72cfe
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (trichloromethyl)benzene
Technique GC/MS
Wiley ID DD2024_004113