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2-(2-chloro-3,4-diketo-cyclobuten-1-yl)-2-methyl-propionic acid methyl ester
SpectraBase Compound ID CQPT6OaA1xS
InChI InChI=1S/C9H9ClO4/c1-9(2,8(13)14-3)4-5(10)7(12)6(4)11/h1-3H3
InChIKey NPCOQPBDBJHHLD-UHFFFAOYSA-N
Mol Weight 216.62 g/mol
Molecular Formula C9H9ClO4
Exact Mass 216.018936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KFIKRQHgUx
Name 2-(2-chloro-3,4-diketo-cyclobuten-1-yl)-2-methyl-propionic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C9H9ClO4
InChI InChI=1S/C9H9ClO4/c1-9(2,8(13)14-3)4-5(10)7(12)6(4)11/h1-3H3
InChIKey NPCOQPBDBJHHLD-UHFFFAOYSA-N
Molecular Weight 216.620 g/mol
SMILES C(C(C)(C)C1=C(C(C1=O)=O)Cl)(=O)OC
SPLASH splash10-000i-0900000000-65003f5df486766756b8
Source of Spectrum KC-1993-268-8
Synonyms 2-(2-chloro-3,4-dioxo-1-cyclobutenyl)-2-methylpropanoic acid methyl ester methyl 2-(2-chloro-3,4-dioxo-cyclobuten-1-yl)-2-methyl-propanoate methyl 2-[2-chloranyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-2-methyl-propanoate
Wiley ID 778812