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Triethyl 3,7,11-triphenylcyclonona[1,2-b:4,5-b':7,8-b"]tripyrrole-2,6,10-tricarboxylate

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Triethyl 3,7,11-triphenylcyclonona[1,2-b:4,5-b':7,8-b"]tripyrrole-2,6,10-tricarboxylate
SpectraBase Compound ID FQ0lxYrLIQW
InChI InChI=1S/C42H39N3O6/c1-4-49-40(46)37-34(25-16-10-7-11-17-25)28-22-32-30(36(27-20-14-9-15-21-27)39(44-32)42(48)51-6-3)24-33-29(23-31(28)43-37)35(26-18-12-8-13-19-26)38(45-33)41(47)50-5-2/h7-21,43-45H,4-6,22-24H2,1-3H3
InChIKey NKGYCTHPZSZTGN-UHFFFAOYSA-N
Mol Weight 681.8 g/mol
Molecular Formula C42H39N3O6
Exact Mass 681.283886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJB1HoZQALZ
Name Triethyl 3,7,11-triphenylcyclonona[1,2-b:4,5-b':7,8-b"]tripyrrole-2,6,10-tricarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H39N3O6
InChI InChI=1S/C42H39N3O6/c1-4-49-40(46)37-34(25-16-10-7-11-17-25)28-22-32-30(36(27-20-14-9-15-21-27)39(44-32)42(48)51-6-3)24-33-29(23-31(28)43-37)35(26-18-12-8-13-19-26)38(45-33)41(47)50-5-2/h7-21,43-45H,4-6,22-24H2,1-3H3
InChIKey NKGYCTHPZSZTGN-UHFFFAOYSA-N
Molecular Weight 681.789 g/mol
SMILES [nH]1c(c(c2c1Cc1c(Cc3c(C2)[nH]c(c3-c2ccccc2)C(=O)OCC)[nH]c(c1-c1ccccc1)C(=O)OCC)-c1ccccc1)C(=O)OCC
SPLASH splash10-001i-0000009000-725535946f2fb8c37963
Source of Spectrum KC-0-2980-10
Synonyms triethyl 3,7,11-triphenyl-1,4,5,8,9,12-hexahydrodipyrrolo[2',3':4,5:2',3':7,8]cyclonona[1,2-b]pyrrole-2,6,10-tricarboxylate Triethyl 3,7,11-triphenylcyclonona[1,2-b:4,5-b':7,8-b'']tripyrrole-2,6,10-tricarboxylate
Wiley ID 831557