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5-Carboxyethyl-1,1,1-trichlorohept-3-en-2,6-dione
SpectraBase Compound ID 3mmi2qS5xDi
InChI InChI=1S/C10H11Cl3O4/c1-3-17-9(16)7(6(2)14)4-5-8(15)10(11,12)13/h4-5,7H,3H2,1-2H3/b5-4+
InChIKey OZCRCPRWYHKXNW-SNAWJCMRSA-N
Mol Weight 301.55 g/mol
Molecular Formula C10H11Cl3O4
Exact Mass 299.972292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDRWHrT7ngL
Name 5-Carboxyethyl-1,1,1-trichlorohept-3-en-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11Cl3O4
InChI InChI=1S/C10H11Cl3O4/c1-3-17-9(16)7(6(2)14)4-5-8(15)10(11,12)13/h4-5,7H,3H2,1-2H3/b5-4+
InChIKey OZCRCPRWYHKXNW-SNAWJCMRSA-N
Molecular Weight 301.553 g/mol
SMILES C(\C=C\C(C(Cl)(Cl)Cl)=O)(C(=O)OCC)C(=O)C
SPLASH splash10-001i-0910000000-94b7380bb745cc0404a5
Source of Spectrum SO-0-766-4
Synonyms Ethyl (3E)-2-acetyl-6,6,6-trichloro-5-oxo-3-hexenoate
Wiley ID 876546