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3,4,5-Trichlorocyclohepta-2,4-dien-1-one
SpectraBase Compound ID J7ewifidRA5
InChI InChI=1S/C7H5Cl3O/c8-5-2-1-4(11)3-6(9)7(5)10/h3H,1-2H2
InChIKey OKZGCRJHXAKHIQ-UHFFFAOYSA-N
Mol Weight 211.47 g/mol
Molecular Formula C7H5Cl3O
Exact Mass 209.940598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dbax4rG7Ort
Name 3,4,5-Trichlorocyclohepta-2,4-dien-1-one
Alternate Name(s) 3,4,5-trichloro-2,4-cycloheptadien-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C7H5Cl3O
InChI InChI=1S/C7H5Cl3O/c8-5-2-1-4(11)3-6(9)7(5)10/h3H,1-2H2
InChIKey OKZGCRJHXAKHIQ-UHFFFAOYSA-N
Molecular Weight 211.475 g/mol
SMILES C1(C=C(C(=C(CC1)Cl)Cl)Cl)=O
SPLASH splash10-03dj-0590000000-8f2fc394bd6b1598dc5b
Source of Spectrum SO-0-954-5
Wiley ID 1539601