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trans-Isomer
SpectraBase Compound ID GAd5V4TUSNO
InChI InChI=1S/C21H25NO5/c1-3-25-19(23)21(20(24)26-4-2)14-11-8-12-15-16(14)18(22-27-15)17(21)13-9-6-5-7-10-13/h5-7,9-10,14-17H,3-4,8,11-12H2,1-2H3/t14-,15+,16-,17-/m0/s1
InChIKey ATHDZOJILXEWAN-YVSFHVDLSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BxM4zAnitD
Name trans-Diethyl 3-phenyl-5-aza-6-oxabicyclo[5.3.1.0(4,11)]undec-4-ene-2,2-dicarboxylate
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Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-3-25-19(23)21(20(24)26-4-2)14-11-8-12-15-16(14)18(22-27-15)17(21)13-9-6-5-7-10-13/h5-7,9-10,14-17H,3-4,8,11-12H2,1-2H3/t14-,15+,16-,17-/m0/s1
InChIKey ATHDZOJILXEWAN-YVSFHVDLSA-N
Molecular Weight 371.433 g/mol
SMILES C1([C@](C2=NO[C@]3([C@@]2([C@@]1(CCC3)[H])[H])[H])(c1ccccc1)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-0002-1091000000-482b05c8db2cb7df1f61
Source of Spectrum KC-0-1218-12
Synonyms Diethyl (3R,4aS,7aR,7bR)-3-phenyl-4a,5,6,7,7a,7b-hexahydroindeno[1,7-cd]isoxazole-4,4(3H)-dicarboxylate
Wiley ID 827833