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(E)-(3S,4R)-1-Benzyl-3-benzyloxy-2-oxo-2,3,4,7,8,9-hexahydro-1H-azonine-4-carboxylic acid ethyl ester
SpectraBase Compound ID Gq04xF7xEm4
InChI InChI=1S/C25H29NO4/c1-2-29-25(28)22-16-10-5-11-17-26(18-20-12-6-3-7-13-20)24(27)23(22)30-19-21-14-8-4-9-15-21/h3-4,6-10,12-16,22-23H,2,5,11,17-19H2,1H3/b16-10+/t22-,23+/m1/s1
InChIKey BULAHWPRKGHJGP-VDKXCSINSA-N
Mol Weight 407.51 g/mol
Molecular Formula C25H29NO4
Exact Mass 407.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78a5HlkakYW
Name (E)-(3S,4R)-1-Benzyl-3-benzyloxy-2-oxo-2,3,4,7,8,9-hexahydro-1H-azonine-4-carboxylic acid ethyl ester
Alternate Name(s) (3R,4R)-1-Benzyl-3-benzyloxy-4-ethoxycarbonyl-2(6H)-azoninone (3S,4R)-1-Benzyl-3-benzyloxy-4-ethoxycarbonyl-1,3,4,7,8,9-hexahydro-2-azoninone (3S,4R)-1-Benzyl-3-benzyloxy-4-ethoxycarbonyl-2(6H)-azoninone Ethyl (3S,4R)-1-benzyl-3-(benzyloxy)-2-oxo-2,3,4,7,8,9-hexahydro-1H-azonine-4-carboxylate
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Formula C25H29NO4
InChI InChI=1S/C25H29NO4/c1-2-29-25(28)22-16-10-5-11-17-26(18-20-12-6-3-7-13-20)24(27)23(22)30-19-21-14-8-4-9-15-21/h3-4,6-10,12-16,22-23H,2,5,11,17-19H2,1H3/b16-10+/t22-,23+/m1/s1
InChIKey BULAHWPRKGHJGP-VDKXCSINSA-N
Molecular Weight 407.510 g/mol
SMILES C1(N(Cc2ccccc2)CCC\C=C\[C@]([C@@]1(OCc1ccccc1)[H])(C(=O)OCC)[H])=O
SPLASH splash10-0006-9100000000-4110c4558490940ebf40
Source of Spectrum QE-2-899-14
Wiley ID 842614