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2-Cyclohexene-1,4-dione, 5-acetyl-5,6-dichloro-
SpectraBase Compound ID 7ozVGR0XaLo
InChI InChI=1S/C8H6Cl2O3/c1-4(11)8(10)6(13)3-2-5(12)7(8)9/h2-3,7H,1H3
InChIKey CHAZBNWFYWOEEN-UHFFFAOYSA-N
Mol Weight 221.04 g/mol
Molecular Formula C8H6Cl2O3
Exact Mass 219.969399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYY1XQE7Qj7
Name 2-Cyclohexene-1,4-dione, 5-acetyl-5,6-dichloro-
Alternate Name(s) 4-Acetyl-4,5-dichlorocyclohexene-3,6-dione 5-acetyl-5,6-dichloro-2-cyclohexene-1,4-dione
CAS Registry Number 79755-93-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6Cl2O3
InChI InChI=1S/C8H6Cl2O3/c1-4(11)8(10)6(13)3-2-5(12)7(8)9/h2-3,7H,1H3
InChIKey CHAZBNWFYWOEEN-UHFFFAOYSA-N
Molecular Weight 221.039 g/mol
SMILES C1(C(C(=O)C=CC1=O)Cl)(C(=O)C)Cl
SPLASH splash10-05fr-0090000000-bcc36d319d182b952548
Source of Spectrum KC-1981-2673-0
Wiley ID 1219258