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(5E,7S,8S)-1-benzyl-8-chloro-9-keto-3,4,7,8-tetrahydro-2H-azonine-7-carboxylic acid ethyl ester
SpectraBase Compound ID ETEihb7njst
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-KBSQKKJPSA-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 FUI2gntRD4b
Name (5E,7S,8S)-1-benzyl-8-chloro-9-keto-3,4,7,8-tetrahydro-2H-azonine-7-carboxylic acid ethyl ester
Alternate Name(s) (5E,7S,8S)-8-chloro-9-oxo-1-(phenylmethyl)-3,4,7,8-tetrahydro-2H-azonine-7-carboxylic acid ethyl ester Ethyl (5E,7S,8S)-1-benzyl-8-chloro-9-oxo-3,4,7,8-tetrahydro-2H-azonine-7-carboxylate Ethyl (5E,7S,8S)-8-chloranyl-9-oxidanylidene-1-(phenylmethyl)-3,4,7,8-tetrahydro-2H-azonine-7-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-KBSQKKJPSA-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 splash10-0006-9111000000-bfb25bacd0e687e471d5
Source of Spectrum QE-2-898-14
Wiley ID 842616