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(E)-tert-Butyl 2-[3-(2-Chlorophenyl)isoxazol-5-yl]methylene-5-oxohexanoate
SpectraBase Compound ID AqZeaKb6Xkr
InChI InChI=1S/C20H22ClNO4/c1-13(23)9-10-14(19(24)25-20(2,3)4)11-15-12-18(22-26-15)16-7-5-6-8-17(16)21/h5-8,11-12H,9-10H2,1-4H3/b14-11+
InChIKey VHTKQXBXCJXNHO-SDNWHVSQSA-N
Mol Weight 375.85 g/mol
Molecular Formula C20H22ClNO4
Exact Mass 375.123736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDeYushTmKx
Name (E)-tert-Butyl 2-[3-(2-Chlorophenyl)isoxazol-5-yl]methylene-5-oxohexanoate
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Formula C20H22ClNO4
InChI InChI=1S/C20H22ClNO4/c1-13(23)9-10-14(19(24)25-20(2,3)4)11-15-12-18(22-26-15)16-7-5-6-8-17(16)21/h5-8,11-12H,9-10H2,1-4H3/b14-11+
InChIKey VHTKQXBXCJXNHO-SDNWHVSQSA-N
Molecular Weight 375.852 g/mol
SMILES c1(noc(c1)\C=C\(C(OC(C)(C)C)=O)CCC(=O)C)-c1c(Cl)cccc1
SPLASH splash10-004i-0094000000-c6ff7cce6e3441d89304
Source of Spectrum SO-0-279-11
Synonyms (2E)-2-[[3-(2-chlorophenyl)-5-isoxazolyl]methylidene]-5-oxohexanoic acid tert-butyl ester tert-Butyl (2E)-2-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methylidene]-5-oxohexanoate tert-Butyl (2E)-2-[[3-(2-chlorophenyl)isoxazol-5-yl]methylene]-5-oxo-hexanoate tert-Butyl (2E)-2-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methylidene]-5-oxidanylidene-hexanoate
Wiley ID 864141