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(4R,6R)-4-Benzoyloxy-6-(2-chloro-5-pyridyl)cyclohex-2-en-1-one
SpectraBase Compound ID ImVfRAe5uwx
InChI InChI=1S/C18H14ClNO3/c19-17-9-6-13(11-20-17)15-10-14(7-8-16(15)21)23-18(22)12-4-2-1-3-5-12/h1-9,11,14-15H,10H2/t14-,15+/m0/s1
InChIKey SUSAIIRSFQFJBW-LSDHHAIUSA-N
Mol Weight 327.77 g/mol
Molecular Formula C18H14ClNO3
Exact Mass 327.066221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LT9NsiZVm5g
Name (4R,6R)-4-Benzoyloxy-6-(2-chloro-5-pyridyl)cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14ClNO3
InChI InChI=1S/C18H14ClNO3/c19-17-9-6-13(11-20-17)15-10-14(7-8-16(15)21)23-18(22)12-4-2-1-3-5-12/h1-9,11,14-15H,10H2/t14-,15+/m0/s1
InChIKey SUSAIIRSFQFJBW-LSDHHAIUSA-N
Molecular Weight 327.767 g/mol
SMILES C(O[C@]1(C=CC([C@](C1)(c1cnc(cc1)Cl)[H])=O)[H])(=O)c1ccccc1
SPLASH splash10-0a4i-1900000000-93470bce8a30c1ccaaab
Source of Spectrum K-2001-171-19
Synonyms (1R,5R)-5-(6-chloro-3-pyridinyl)-4-oxo-2-cyclohexen-1-yl benzoate (4R,6R/S)-4-Benzoyloxy-6-(2-chloro-5-pyridyl)cyclohex-2-en-1-one benzoic acid[(1R,5R)-5-(6-chloro-3-pyridinyl)-4-oxo-1-cyclohex-2-enyl]ester benzoic acid[(1R,5R)-5-(6-chloro-3-pyridyl)-4-keto-cyclohex-2-en-1-yl]ester [(1R,5R)-5-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohex-2-en-1-yl]benzoate [(1R,5R)-5-(6-chloro-3-pyridyl)-4-oxo-cyclohex-2-en-1-yl]benzoate [(1R,5R)-5-(6-chloropyridin-3-yl)-4-oxocyclohex-2-en-1-yl]benzoate benzoic acid [(1R,5R)-5-(6-chloro-3-pyridinyl)-4-oxo-1-cyclohex-2-enyl] ester [(1R,5R)-5-(6-chloropyridin-3-yl)-4-oxocyclohex-2-en-1-yl] benzoate [(1R,5R)-5-(6-chloro-3-pyridyl)-4-oxo-cyclohex-2-en-1-yl] benzoate [(1R,5R)-5-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohex-2-en-1-yl] benzoate
Wiley ID 1578378