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(1'R*,7'S*,8'S*)-[10-Ethyl-6-oxa-10-azatricyclo[6.3.3.0(1,7)]tetradec-3-en-8-yl]-methyl - 2'-Aminobenzoate
SpectraBase Compound ID 3zh0ndFplfa
InChI InChI=1S/C22H30N2O3/c1-2-24-14-21-10-5-6-13-26-20(21)22(15-24,12-7-11-21)16-27-19(25)17-8-3-4-9-18(17)23/h3-6,8-9,20H,2,7,10-16,23H2,1H3/t20-,21-,22-/m0/s1
InChIKey LBZLQJLEACEDBG-FKBYEOEOSA-N
Mol Weight 370.49 g/mol
Molecular Formula C22H30N2O3
Exact Mass 370.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ljlXDUqxcV
Name (1'R*,7'S*,8'S*)-[10-Ethyl-6-oxa-10-azatricyclo[6.3.3.0(1,7)]tetradec-3-en-8-yl]-methyl - 2'-Aminobenzoate
Alternate Name(s) (1R*,7S*,8S*)-[10-Ethyl-6-oxa-10-azatricyclo[6.3.3.0(1,7)]tetradec-3-en-8-yl]-methyl - 2'-Aminobenzoate ((5aR,9S,9aS)-11-ethyl-5,6,7,8,9,9a-hexahydro-2H-5a,9-(methanoiminomethano)benzo[b]oxepin-9-yl)methyl 2-aminobenzoate
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Formula C22H30N2O3
InChI InChI=1S/C22H30N2O3/c1-2-24-14-21-10-5-6-13-26-20(21)22(15-24,12-7-11-21)16-27-19(25)17-8-3-4-9-18(17)23/h3-6,8-9,20H,2,7,10-16,23H2,1H3/t20-,21-,22-/m0/s1
InChIKey LBZLQJLEACEDBG-FKBYEOEOSA-N
Molecular Weight 370.493 g/mol
SMILES Nc1c(C(OC[C@@]23[C@@]4([C@@](CC=CCO4)(CCC3)CN(C2)CC)[H])=O)cccc1
SPLASH splash10-00di-0944000000-cbad7ae3ba66776b393e
Source of Spectrum F5-2-1665-16
Wiley ID 1731891