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2-(4-Chloro-benzoyl)-but-2-enedioic acid diethyl ester
SpectraBase Compound ID 4HTg8XFUoZt
InChI InChI=1S/C15H15ClO5/c1-3-20-13(17)9-12(15(19)21-4-2)14(18)10-5-7-11(16)8-6-10/h5-9H,3-4H2,1-2H3/b12-9+
InChIKey KNDRMMXHSOJDBY-FMIVXFBMSA-N
Mol Weight 310.73 g/mol
Molecular Formula C15H15ClO5
Exact Mass 310.060801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XmsJzL4F0W
Name 2-(4-Chloro-benzoyl)-but-2-enedioic acid diethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C15H15ClO5
InChI InChI=1S/C15H15ClO5/c1-3-20-13(17)9-12(15(19)21-4-2)14(18)10-5-7-11(16)8-6-10/h5-9H,3-4H2,1-2H3/b12-9+
InChIKey KNDRMMXHSOJDBY-FMIVXFBMSA-N
Molecular Weight 310.733 g/mol
SMILES C(\C(=C/C(=O)OCC)C(=O)OCC)(c1ccc(cc1)Cl)=O
SPLASH splash10-03di-0009000000-eb6cb2fec812493ca0e9
Source of Spectrum F-67-5787-1c
Wiley ID 1687252