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(E)-ethyl 6-(4-chlorophenyl)-2-ethyl-5-methyl-3,4-dioxohex-5-enoate
SpectraBase Compound ID rL1OnXDitE
InChI InChI=1S/C17H19ClO4/c1-4-14(17(21)22-5-2)16(20)15(19)11(3)10-12-6-8-13(18)9-7-12/h6-10,14H,4-5H2,1-3H3/b11-10+
InChIKey TZFFWIFQNPXGJG-ZHACJKMWSA-N
Mol Weight 322.79 g/mol
Molecular Formula C17H19ClO4
Exact Mass 322.097187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cFGD2MLmhT
Name (E)-ethyl 6-(4-chlorophenyl)-2-ethyl-5-methyl-3,4-dioxohex-5-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClO4
InChI InChI=1S/C17H19ClO4/c1-4-14(17(21)22-5-2)16(20)15(19)11(3)10-12-6-8-13(18)9-7-12/h6-10,14H,4-5H2,1-3H3/b11-10+
InChIKey TZFFWIFQNPXGJG-ZHACJKMWSA-N
Literature Reference DOI 10.1002/anie.201201724
Molecular Weight 322.788 g/mol
SMILES C(\C(=C\c1ccc(cc1)Cl)C)(C(=O)C(C(=O)OCC)CC)=O
SPLASH splash10-00or-0900000000-587f24b7c246fcd4defe
Source of Spectrum ACI-51-SMS18-D_7
Synonyms Ethyl (E)-6-(4-chlorophenyl)-2-ethyl-5-methyl-3,4-dioxohex-5-enoate
Wiley ID 1780317