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(E)-7-(2-Chloropyridin-3-yl)-7-hydroxy-1-phenylhept-2-en-1-yl Acetate
SpectraBase Compound ID JFIUtf1C2BX
InChI InChI=1S/C20H22ClNO3/c1-15(23)25-19(16-9-4-2-5-10-16)13-7-3-6-12-18(24)17-11-8-14-22-20(17)21/h2,4-5,7-11,13-14,18-19,24H,3,6,12H2,1H3/b13-7+
InChIKey KZURICXWSIZJJP-NTUHNPAUSA-N
Mol Weight 359.85 g/mol
Molecular Formula C20H22ClNO3
Exact Mass 359.128821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjCfFcBt7If
Name (E)-7-(2-Chloropyridin-3-yl)-7-hydroxy-1-phenylhept-2-en-1-yl Acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22ClNO3
InChI InChI=1S/C20H22ClNO3/c1-15(23)25-19(16-9-4-2-5-10-16)13-7-3-6-12-18(24)17-11-8-14-22-20(17)21/h2,4-5,7-11,13-14,18-19,24H,3,6,12H2,1H3/b13-7+
InChIKey KZURICXWSIZJJP-NTUHNPAUSA-N
Literature Reference DOI 10.1021/acs.joc.5b02371
Molecular Weight 359.853 g/mol
SMILES OC(c1cccnc1Cl)CCC\C=C\C(OC(=O)C)c1ccccc1
SPLASH splash10-0udi-3900000000-87c417212f47aa4481f6
Source of Spectrum J-80-12519-17b
Wiley ID 1801811