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(E)-3-Chloro-3-isoquinolin-4-yl-acrylic acid ethyl ester
SpectraBase Compound ID JgTTvozaOPh
InChI InChI=1S/C14H12ClNO2/c1-2-18-14(17)7-13(15)12-9-16-8-10-5-3-4-6-11(10)12/h3-9H,2H2,1H3/b13-7+
InChIKey XYFYZUWZSDSVHU-NTUHNPAUSA-N
Mol Weight 261.71 g/mol
Molecular Formula C14H12ClNO2
Exact Mass 261.055656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KETIUCfhDSW
Name (E)-3-Chloro-3-isoquinolin-4-yl-acrylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12ClNO2
InChI InChI=1S/C14H12ClNO2/c1-2-18-14(17)7-13(15)12-9-16-8-10-5-3-4-6-11(10)12/h3-9H,2H2,1H3/b13-7+
InChIKey XYFYZUWZSDSVHU-NTUHNPAUSA-N
Molecular Weight 261.708 g/mol
SMILES c1(\C(=C/C(=O)OCC)Cl)c2c(cnc1)cccc2
SPLASH splash10-0gy9-0930000000-5cc11abd6c766e74dee7
Source of Spectrum F4-43-650-36
Synonyms Ethyl 3-(Isoquinolin-4-yl)-3-chloroacrylate
Wiley ID 1675216