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2-Carbomethoxy-2-(3-chloropropyl)-3-cyclohexen-1-one
SpectraBase Compound ID 2cjbezyQBAq
InChI InChI=1S/C11H15ClO3/c1-15-10(14)11(7-4-8-12)6-3-2-5-9(11)13/h3,6H,2,4-5,7-8H2,1H3
InChIKey USUABDMEJOKNSH-UHFFFAOYSA-N
Mol Weight 230.69 g/mol
Molecular Formula C11H15ClO3
Exact Mass 230.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjXrTkXuGJM
Name 2-Carbomethoxy-2-(3-chloropropyl)-3-cyclohexen-1-one
Alternate Name(s) Methyl 1-(3-chloropropyl)-6-oxo-2-cyclohexene-1-carboxylate
CAS Registry Number 87067-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15ClO3
InChI InChI=1S/C11H15ClO3/c1-15-10(14)11(7-4-8-12)6-3-2-5-9(11)13/h3,6H,2,4-5,7-8H2,1H3
InChIKey USUABDMEJOKNSH-UHFFFAOYSA-N
Molecular Weight 230.691 g/mol
SMILES C1(C(=O)OC)(C(=O)CCC=C1)CCCCl
SPLASH splash10-004i-0910000000-6ada06a8be80dc644900
Source of Spectrum J-49-4436-0
Wiley ID 1231425