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5'-tert-Butoxycarbonyl-4-[2-(4-chlorophenylselenyl)ethyl]1,5-dihydro-3,3'-dimethyl-5-oxo-2,2'-pyrromethen-4'-propionic acid-methylester
SpectraBase Compound ID DvEv80Vb0yW
InChI InChI=1S/C28H33ClN2O5Se/c1-16-20(11-12-24(32)35-6)25(27(34)36-28(3,4)5)30-22(16)15-23-17(2)21(26(33)31-23)13-14-37-19-9-7-18(29)8-10-19/h7-10,15,30H,11-14H2,1-6H3,(H,31,33)
InChIKey LFJJPPAMMVIHOZ-UHFFFAOYSA-N
Mol Weight 592.0 g/mol
Molecular Formula C28H33ClN2O5Se
Exact Mass 592.124322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnSwPkUEFbf
Name 5'-tert-Butoxycarbonyl-4-[2-(4-chlorophenylselenyl)ethyl]1,5-dihydro-3,3'-dimethyl-5-oxo-2,2'-pyrromethen-4'-propionic acid-methylester
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Formula C28H33ClN2O5Se
InChI InChI=1S/C28H33ClN2O5Se/c1-16-20(11-12-24(32)35-6)25(27(34)36-28(3,4)5)30-22(16)15-23-17(2)21(26(33)31-23)13-14-37-19-9-7-18(29)8-10-19/h7-10,15,30H,11-14H2,1-6H3,(H,31,33)
InChIKey LFJJPPAMMVIHOZ-UHFFFAOYSA-N
Molecular Weight 592.006 g/mol
SMILES N1C(=Cc2[nH]c(c(c2C)CCC(OC)=O)C(OC(C)(C)C)=O)C(=C(C1=O)CC[Se]c1ccc(cc1)Cl)C
SPLASH splash10-0f7c-0098670000-47dfc2a6d4e4df27070c
Source of Spectrum K-113-1608-3c
Synonyms tert-Butyl 5-((4-(2-((4-chlorophenyl)selanyl)ethyl)-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1794396