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2-Acetoxy-4,5,6-trichlorocyclohepta-2,4,6-trien-1-one
SpectraBase Compound ID K5EE7OpRxHz
InChI InChI=1S/C9H5Cl3O3/c1-4(13)15-8-3-6(11)9(12)5(10)2-7(8)14/h2-3H,1H3
InChIKey GZRAZZFCYAMIOT-UHFFFAOYSA-N
Mol Weight 267.49 g/mol
Molecular Formula C9H5Cl3O3
Exact Mass 265.930427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BBPQWkaG8t
Name 2-Acetoxy-4,5,6-trichlorocyclohepta-2,4,6-trien-1-one
Alternate Name(s) 3,4,5-trichloro-7-oxo-1,3,5-cycloheptatrien-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5Cl3O3
InChI InChI=1S/C9H5Cl3O3/c1-4(13)15-8-3-6(11)9(12)5(10)2-7(8)14/h2-3H,1H3
InChIKey GZRAZZFCYAMIOT-UHFFFAOYSA-N
Molecular Weight 267.495 g/mol
SMILES C1(=C(C=C(OC(=O)C)C(C=C1Cl)=O)Cl)Cl
SPLASH splash10-00bd-3490000000-a2945dd779da2c59b4ae
Source of Spectrum B-46-1861-0
Wiley ID 1269361