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3,3,5-Trichloro-5-methyloxocan-2-one
SpectraBase Compound ID 4Kv8d8LS4Wv
InChI InChI=1S/C8H11Cl3O2/c1-7(9)3-2-4-13-6(12)8(10,11)5-7/h2-5H2,1H3
InChIKey GTUYOYIZPHVDCA-UHFFFAOYSA-N
Mol Weight 245.53 g/mol
Molecular Formula C8H11Cl3O2
Exact Mass 243.982463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HPnO6mi7hG
Name 3,3,5-Trichloro-5-methyloxocan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11Cl3O2
InChI InChI=1S/C8H11Cl3O2/c1-7(9)3-2-4-13-6(12)8(10,11)5-7/h2-5H2,1H3
InChIKey GTUYOYIZPHVDCA-UHFFFAOYSA-N
Molecular Weight 245.533 g/mol
SMILES C1(C(OCCCC(C1)(Cl)C)=O)(Cl)Cl
SPLASH splash10-053i-9600000000-8affb089d393f3766a99
Source of Spectrum F-50-12440-50
Synonyms 3,3,5-trichloro-5-methyl-2-oxocanone 3,3,5-tris(chloranyl)-5-methyl-oxocan-2-one
Wiley ID 789775