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(3R,4S)-1-Benzyl-3-chloro-4-ethoxycarbonyl-2(6H)-azoninone
SpectraBase Compound ID KYxnXDrm4fm
InChI InChI=1S/C18H22ClNO3/c1-2-23-18(22)15-11-7-4-8-12-20(17(21)16(15)19)13-14-9-5-3-6-10-14/h3,5-7,9-11,15-16H,2,4,8,12-13H2,1H3/b11-7+/t15-,16-/m1/s1
InChIKey JBUANIGDZTWLON-KNFPLBEISA-N
Mol Weight 335.83 g/mol
Molecular Formula C18H22ClNO3
Exact Mass 335.128821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ivi5kXbGVt
Name (3R,4S)-1-Benzyl-3-chloro-4-ethoxycarbonyl-2(6H)-azoninone
Alternate Name(s) (3R,4S)-1-Benzyl-3-chloro-4-ethoxycarbonyl-1,3,4,7,8,9-hexahydro-2-azoninone Ethyl (3R,4S)-1-benzyl-3-chloro-2-oxo-2,3,4,7,8,9-hexahydro-1H-azonine-4-carboxylate
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Formula C18H22ClNO3
InChI InChI=1S/C18H22ClNO3/c1-2-23-18(22)15-11-7-4-8-12-20(17(21)16(15)19)13-14-9-5-3-6-10-14/h3,5-7,9-11,15-16H,2,4,8,12-13H2,1H3/b11-7+/t15-,16-/m1/s1
InChIKey JBUANIGDZTWLON-KNFPLBEISA-N
Molecular Weight 335.831 g/mol
SMILES C1(N(Cc2ccccc2)CCC\C=C\[C@]([C@]1(Cl)[H])(C(=O)OCC)[H])=O
SPLASH splash10-0006-9000000000-0376b5a8dd5919b4abca
Source of Spectrum QE-2-898-15
Wiley ID 842615