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Norcocaine

View entire compound with spectra: 2 MS (GC)

Norcocaine
SpectraBase Compound ID 7n5kc0w2zEF
InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13-,14+/m1/s1
InChIKey AYDBLCSLKNTEJL-RQJABVFESA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uwRrGMnzBm
Name Norcocaine
Alternate Name(s) Methyl 3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate 1-.alpha.-H,5-.alpha.-H-Nortropane-2-.beta.-carboxylic acid, 3-.beta.-hydroxy-, methyl ester,benzoate Methyl (1S,2S,3R,5R)-3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate
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Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13-,14+/m1/s1
InChIKey AYDBLCSLKNTEJL-RQJABVFESA-N
Molecular Weight 289.331 g/mol
SMILES N1[C@]2(CC[C@@]1(C[C@]([C@]2(C(OC)=O)[H])(OC(=O)c1ccccc1)[H])[H])[H]
SPLASH splash10-014i-8900000000-9e4a26eb7ae370f34e28
Source of Spectrum SWG-33-2469-0
Wiley ID 1809713