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(4R,6aR,9S)-4,9-Dihydroxy-4,9-dimethyl-1,2,5,6,6a,7,8,10a-octahydro-4H,9H-imidazo[1,2,3-ij]naphthyridin-10a.-ylium 4-chlorobenzoate

View entire compound with spectra: 1 MS (GC)

(4R,6aR,9S)-4,9-Dihydroxy-4,9-dimethyl-1,2,5,6,6a,7,8,10a-octahydro-4H,9H-imidazo[1,2,3-ij]naphthyridin-10a.-ylium 4-chlorobenzoate
SpectraBase Compound ID 33mSkbjRkAA
InChI InChI=1S/C12H21N2O2.C7H5ClO2/c1-11(15)5-3-9-4-6-12(2,16)14-8-7-13(11)10(9)14;8-6-3-1-5(2-4-6)7(9)10/h9,15-16H,3-8H2,1-2H3;1-4H,(H,9,10)/q+1;/p-1/t9-,11-,12+;
InChIKey ISEUVSSPTVTFMB-FZISOCLJSA-M
Mol Weight 380.87 g/mol
Molecular Formula C19H25ClN2O4
Exact Mass 380.150285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmXERVJ8REO
Name (4R,6aR,9S)-4,9-Dihydroxy-4,9-dimethyl-1,2,5,6,6a,7,8,10a-octahydro-4H,9H-imidazo[1,2,3-ij]naphthyridin-10a.-ylium 4-chlorobenzoate
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Formula C19H25ClN2O4
InChI InChI=1S/C12H21N2O2.C7H5ClO2/c1-11(15)5-3-9-4-6-12(2,16)14-8-7-13(11)10(9)14;8-6-3-1-5(2-4-6)7(9)10/h9,15-16H,3-8H2,1-2H3;1-4H,(H,9,10)/q+1;/p-1/t9-,11-,12+;
InChIKey ISEUVSSPTVTFMB-FZISOCLJSA-M
Molecular Weight 380.872 g/mol
SMILES C(c1ccc(cc1)Cl)([O-])=O.O[C@]1(N2C3=[N+]([C@](CC[C@]3(CC1)[H])(O)C)CC2)C
SPLASH splash10-000i-0900000000-044c7496939ea5acac97
Source of Spectrum KC-0-2090-7
Synonyms (4S,6aR,9R)-4,9-dihydroxy-4,9-dimethyl-1H,2H,4H,5H,6H,6aH,7H,8H,9H-imidazo[1,2,3-ij][1,8]naphthyridin-3-ium 4-chlorobenzoate 4,9-Dihydroxy-4,9-dimethyl-1,2,5,6,6a,7,8,10a-octahydro-4H,9H-imidazo[1,2,3-ij]naphthyridin-10a.-ylium 4-chlorobenzoate
Wiley ID 828645