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(1R*,2S*,7Z,7bR*)-(+-)-6-Oxo-2-(2-propenyl)-3-azabicyclo[7.1.0]dec-7-ene-3-carboxylic acid (p-methoxy)benzyl ester
SpectraBase Compound ID LXjGusf928f
InChI InChI=1S/C21H25NO4/c1-3-4-20-19-13-16(19)7-8-17(23)11-12-22(20)21(24)26-14-15-5-9-18(25-2)10-6-15/h3,5-10,16,19-20H,1,4,11-14H2,2H3/b8-7-/t16?,19-,20+/m1/s1
InChIKey DKHNFFKSZVJDGX-FHUIYVCWSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jozjeE236r
Name (1R*,2S*,7Z,7bR*)-(+-)-6-Oxo-2-(2-propenyl)-3-azabicyclo[7.1.0]dec-7-ene-3-carboxylic acid (p-methoxy)benzyl ester
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Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-3-4-20-19-13-16(19)7-8-17(23)11-12-22(20)21(24)26-14-15-5-9-18(25-2)10-6-15/h3,5-10,16,19-20H,1,4,11-14H2,2H3/b8-7-/t16?,19-,20+/m1/s1
InChIKey DKHNFFKSZVJDGX-FHUIYVCWSA-N
Molecular Weight 355.434 g/mol
SMILES [C@@]12(C(\C=C/C(=O)CCN([C@]2(CC=C)[H])C(OCc2ccc(cc2)OC)=O)C1)[H]
SPLASH splash10-00di-0910000000-fb3f1cecedf99e871a39
Source of Spectrum C-115-37-40
Wiley ID 1345349