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2,5-Bis(5-benzyloxycarbonyl-3-ethyl-4-methyl-2-pyrrolylmethyl)-3-methylpyrrole
SpectraBase Compound ID FrejFmjMOnJ
InChI InChI=1S/C37H41N3O4/c1-6-29-24(4)34(36(41)43-21-26-14-10-8-11-15-26)39-32(29)19-28-18-23(3)31(38-28)20-33-30(7-2)25(5)35(40-33)37(42)44-22-27-16-12-9-13-17-27/h8-18,38-40H,6-7,19-22H2,1-5H3
InChIKey UUJFFIBADAHOMU-UHFFFAOYSA-N
Mol Weight 591.8 g/mol
Molecular Formula C37H41N3O4
Exact Mass 591.309707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3545cfapCbz
Name 2,5-Bis(5-benzyloxycarbonyl-3-ethyl-4-methyl-2-pyrrolylmethyl)-3-methylpyrrole
Alternate Name(s) benzyl 5-{[5-({5-[(benzyloxy)carbonyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl}methyl)-4-methyl-1H-pyrrol-2-yl]methyl}-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate 4-ethyl-5-[[5-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester benzyl 4-ethyl-5-[[5-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate benzyl 5-[[5-[(5-benzyloxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate (phenylmethyl) 4-ethyl-5-[[5-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C37H41N3O4
InChI InChI=1S/C37H41N3O4/c1-6-29-24(4)34(36(41)43-21-26-14-10-8-11-15-26)39-32(29)19-28-18-23(3)31(38-28)20-33-30(7-2)25(5)35(40-33)37(42)44-22-27-16-12-9-13-17-27/h8-18,38-40H,6-7,19-22H2,1-5H3
InChIKey UUJFFIBADAHOMU-UHFFFAOYSA-N
Molecular Weight 591.752 g/mol
SMILES [nH]1c(cc(c1Cc1[nH]c(c(c1CC)C)C(=O)OCc1ccccc1)C)Cc1[nH]c(c(c1CC)C)C(=O)OCc1ccccc1
SPLASH splash10-000x-0000490000-fcce2a4bed7fd5583a5c
Source of Spectrum F-68-1760-12
Wiley ID 1571975