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.omega.,.omega.,.omega.-Trichloro-2-hydroxy-3-tert-butylacetophenone
SpectraBase Compound ID 8Q7gS7kz3Lw
InChI InChI=1S/C12H13Cl3O2/c1-8(12(13,14)15)10(16)7-11(17)9-5-3-2-4-6-9/h2-6,8,10,16H,7H2,1H3
InChIKey SDOSZSQVEVIWBN-UHFFFAOYSA-N
Mol Weight 295.59 g/mol
Molecular Formula C12H13Cl3O2
Exact Mass 293.998113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47iDLGb1T1w
Name .omega.,.omega.,.omega.-Trichloro-2-hydroxy-3-tert-butylacetophenone
CAS Registry Number 111422-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13Cl3O2
InChI InChI=1S/C12H13Cl3O2/c1-8(12(13,14)15)10(16)7-11(17)9-5-3-2-4-6-9/h2-6,8,10,16H,7H2,1H3
InChIKey SDOSZSQVEVIWBN-UHFFFAOYSA-N
Molecular Weight 295.593 g/mol
SMILES OC(CC(=O)c1ccccc1)C(C(Cl)(Cl)Cl)C
SPLASH splash10-004i-0900000000-d7febaefee6973d3ead5
Source of Spectrum J-55-4370-21
Synonyms 5,5,5-trichloro-3-hydroxy-4-methyl-1-phenyl-1-pentanone
Wiley ID 1296741