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1,3-Bis(5-ethyloxycarbonyl-3-butyl-4-methyl-2-pyrrolylmethyl)-7,8-diazaphenanthro[9,10-c]pyrrole
SpectraBase Compound ID 6x7bZC1P30Z
InChI InChI=1S/C40H47N5O4/c1-7-25(19-33(46)48-9-3)37-23(5)17-27(43-37)21-31-35-29-13-11-15-41-39(29)40-30(14-12-16-42-40)36(35)32(45-31)22-28-18-24(6)38(44-28)26(8-2)20-34(47)49-10-4/h11-18,25-26,43-45H,7-10,19-22H2,1-6H3
InChIKey SHHFHIDGRQWWCG-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 IKgy3VpNfoJ
Name 1,3-Bis(5-ethyloxycarbonyl-3-butyl-4-methyl-2-pyrrolylmethyl)-7,8-diazaphenanthro[9,10-c]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H47N5O4
InChI InChI=1S/C40H47N5O4/c1-7-25(19-33(46)48-9-3)37-23(5)17-27(43-37)21-31-35-29-13-11-15-41-39(29)40-30(14-12-16-42-40)36(35)32(45-31)22-28-18-24(6)38(44-28)26(8-2)20-34(47)49-10-4/h11-18,25-26,43-45H,7-10,19-22H2,1-6H3
InChIKey SHHFHIDGRQWWCG-UHFFFAOYSA-N
Molecular Weight 661.847 g/mol
SMILES [nH]1c(Cc2c3c(c(Cc4cc(c([nH]4)C(CC(=O)OCC)CC)C)[nH]2)c2c(c4ncccc34)nccc2)cc(C)c1C(CC(=O)OCC)CC
SPLASH splash10-03dm-0004915000-9f3a2e7e8a27f0a0a160
Source of Spectrum KC-61-11610-18
Synonyms Ethyl 3-{5-[(7-{[5-(3-ethoxy-1-ethyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl}-6H-pyrrolo[3,4-f][1,10]phenanthrolin-5-yl)methyl]-3-methyl-1H-pyrrol-2-yl}pentanoate
Wiley ID 1631533