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4-Ethyl-5-[[3-[[3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-1H-pyrrol-2-yl]methyl]-2H-pyrrolo[3,4-f][1,10]phenanthrolin-1-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID GUvg4jOGoHf
InChI InChI=1S/C40H47N5O4/c1-11-23-21(3)33(37(46)48-39(5,6)7)44-27(23)19-29-31-25-15-13-17-41-35(25)36-26(16-14-18-42-36)32(31)30(43-29)20-28-24(12-2)22(4)34(45-28)38(47)49-40(8,9)10/h13-18,43-45H,11-12,19-20H2,1-10H3
InChIKey YTGRDKBNEDJCFN-UHFFFAOYSA-N
Mol Weight 661.8 g/mol
Molecular Formula C40H47N5O4
Exact Mass 661.362805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fJwMhPcsrn
Name 4-Ethyl-5-[[3-[[3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-1H-pyrrol-2-yl]methyl]-2H-pyrrolo[3,4-f][1,10]phenanthrolin-1-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H47N5O4
InChI InChI=1S/C40H47N5O4/c1-11-23-21(3)33(37(46)48-39(5,6)7)44-27(23)19-29-31-25-15-13-17-41-35(25)36-26(16-14-18-42-36)32(31)30(43-29)20-28-24(12-2)22(4)34(45-28)38(47)49-40(8,9)10/h13-18,43-45H,11-12,19-20H2,1-10H3
InChIKey YTGRDKBNEDJCFN-UHFFFAOYSA-N
Molecular Weight 661.847 g/mol
SMILES [nH]1c(c2c(c1Cc1[nH]c(c(c1CC)C)C(=O)OC(C)(C)C)c1cccnc1c1ncccc21)Cc1[nH]c(c(c1CC)C)C(=O)OC(C)(C)C
SPLASH splash10-000f-0009200000-38d0d9b571e515820dd6
Source of Spectrum KC-61-11610-18
Synonyms 5-[[3-[(5-tert-butoxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-2H-pyrrolo[3,4-f][1,10]phenanthrolin-1-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester tert-Butyl 4-ethyl-5-[[3-[[3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methyl]-2H-pyrrolo[3,4-f][1,10]phenanthrolin-1-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate tert-Butyl 5-[[3-[(5-tert-butoxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-2H-pyrrolo[3,4-f][1,10]phenanthrolin-1-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1631535