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(E)-6-(2-chloropyridin-3-yl)-6-hydroxyhex-3-en-2-one
SpectraBase Compound ID H5fzxzUF26b
InChI InChI=1S/C11H12ClNO2/c1-8(14)4-2-6-10(15)9-5-3-7-13-11(9)12/h2-5,7,10,15H,6H2,1H3/b4-2+
InChIKey CYAGGYGYEWQTOE-DUXPYHPUSA-N
Mol Weight 225.67 g/mol
Molecular Formula C11H12ClNO2
Exact Mass 225.055656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oNemv9rE
Name (E)-6-(2-chloropyridin-3-yl)-6-hydroxyhex-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12ClNO2
InChI InChI=1S/C11H12ClNO2/c1-8(14)4-2-6-10(15)9-5-3-7-13-11(9)12/h2-5,7,10,15H,6H2,1H3/b4-2+
InChIKey CYAGGYGYEWQTOE-DUXPYHPUSA-N
Literature Reference DOI 10.1021/ol502016h
Molecular Weight 225.675 g/mol
SMILES OC(C\C=C\C(=O)C)c1c(nccc1)Cl
SPLASH splash10-0fu6-9600000000-87501e883e2ddda3e460
Source of Spectrum A1-16-4972/SMS17-6a
Wiley ID 1751207