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6-[(2E)-4-Chloro-3-methylbut-2-enyl]-2,5-diketo-4-(4-methoxy-benzyl)-3-benzyl-1,4-diazabicyclo[4.3.0]nonane
SpectraBase Compound ID G1gMUBMdzsj
InChI InChI=1S/C27H31ClN2O3/c1-20(18-28)13-15-27-14-6-16-30(27)25(31)24(17-21-7-4-3-5-8-21)29(26(27)32)19-22-9-11-23(33-2)12-10-22/h3-5,7-13,24H,6,14-19H2,1-2H3/b20-13+
InChIKey PVGFKHWJXKTZEC-DEDYPNTBSA-N
Mol Weight 467.01 g/mol
Molecular Formula C27H31ClN2O3
Exact Mass 466.202321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BbumlPBRpD
Name 6-[(2E)-4-Chloro-3-methylbut-2-enyl]-2,5-diketo-4-(4-methoxy-benzyl)-3-benzyl-1,4-diazabicyclo[4.3.0]nonane
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Formula C27H31ClN2O3
InChI InChI=1S/C27H31ClN2O3/c1-20(18-28)13-15-27-14-6-16-30(27)25(31)24(17-21-7-4-3-5-8-21)29(26(27)32)19-22-9-11-23(33-2)12-10-22/h3-5,7-13,24H,6,14-19H2,1-2H3/b20-13+
InChIKey PVGFKHWJXKTZEC-DEDYPNTBSA-N
Molecular Weight 467.009 g/mol
SMILES C1(N(C(C(N2CCCC12C\C=C\(CCl)C)=O)Cc1ccccc1)Cc1ccc(cc1)OC)=O
SPLASH splash10-0229-0907600000-3b21bb1d2f9492605071
Source of Spectrum C-112-819-36
Synonyms 3-Benzyl-8a-[(2E)-4-chloro-3-methyl-2-butenyl]-2-(4-methoxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Wiley ID 1391993