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6-Carbomethoxy-6-(3-chloropropyl)-2,4-cyclohexadien-1-one
SpectraBase Compound ID 5KUHOHf5x5f
InChI InChI=1S/C11H13ClO3/c1-15-10(14)11(7-4-8-12)6-3-2-5-9(11)13/h2-3,5-6H,4,7-8H2,1H3
InChIKey QDJPZPUSJPJVDH-UHFFFAOYSA-N
Mol Weight 228.67 g/mol
Molecular Formula C11H13ClO3
Exact Mass 228.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fZnu1kbQtn
Name 6-Carbomethoxy-6-(3-chloropropyl)-2,4-cyclohexadien-1-one
CAS Registry Number 86990-79-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13ClO3
InChI InChI=1S/C11H13ClO3/c1-15-10(14)11(7-4-8-12)6-3-2-5-9(11)13/h2-3,5-6H,4,7-8H2,1H3
InChIKey QDJPZPUSJPJVDH-UHFFFAOYSA-N
Molecular Weight 228.675 g/mol
SMILES C1(C(=O)OC)(C(C=CC=C1)=O)CCCCl
SPLASH splash10-0h01-0940000000-9d6b4bf234be43c4dfc8
Source of Spectrum J-49-4437-0
Synonyms Methyl 1-(3-chloropropyl)-6-oxo-2,4-cyclohexadiene-1-carboxylate
Wiley ID 1229333