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(5R*,9R*,11E)-5-Amino-7-ethoxycarbonyl-11-ethylidene-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridine-2(1H)-one
SpectraBase Compound ID HTWletSCatl
InChI InChI=1S/C17H20N2O3/c1-3-12-10-7-11(16(21)22-4-2)9-17(12,18)13-5-6-15(20)19-14(13)8-10/h3,5-7,10H,4,8-9,18H2,1-2H3,(H,19,20)/b12-3+/t10-,17+/m1/s1
InChIKey ORLORFDHFBAKDK-IPZHYHDLSA-N
Mol Weight 300.36 g/mol
Molecular Formula C17H20N2O3
Exact Mass 300.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMEZfb0N80n
Name (5R*,9R*,11E)-5-Amino-7-ethoxycarbonyl-11-ethylidene-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridine-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O3
InChI InChI=1S/C17H20N2O3/c1-3-12-10-7-11(16(21)22-4-2)9-17(12,18)13-5-6-15(20)19-14(13)8-10/h3,5-7,10H,4,8-9,18H2,1-2H3,(H,19,20)/b12-3+/t10-,17+/m1/s1
InChIKey ORLORFDHFBAKDK-IPZHYHDLSA-N
Molecular Weight 300.358 g/mol
SMILES N1C(C=CC=2[C@]3(\C([C@@](CC12)(C=C(C3)C(=O)OCC)[H])=C\C)N)=O
SPLASH splash10-0ug0-0494000000-de75fdb8b5e2917c9acd
Source of Spectrum F-54-5503-47
Synonyms Ethyl (1R,9R,13E)-1-amino-13-ethylidene-5-oxo-6-azatricyclo[7.3.1.0(2,7)]trideca-2,6,10-triene-11-carboxylate
Wiley ID 806783