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1,11-bis[5-(ethoxycarbonyl)-2,4-dimethylpyrrol-3-yl]undecane
SpectraBase Compound ID 95kBvczZbLu
InChI InChI=1S/C29H46N2O4/c1-7-34-28(32)26-20(3)24(22(5)30-26)18-16-14-12-10-9-11-13-15-17-19-25-21(4)27(31-23(25)6)29(33)35-8-2/h30-31H,7-19H2,1-6H3
InChIKey MLNFJTYPXQNLSN-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C29H46N2O4
Exact Mass 486.345758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vFanf9GcNM
Name 1,11-bis[5-(ethoxycarbonyl)-2,4-dimethylpyrrol-3-yl]undecane
CAS Registry Number 87280-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46N2O4
InChI InChI=1S/C29H46N2O4/c1-7-34-28(32)26-20(3)24(22(5)30-26)18-16-14-12-10-9-11-13-15-17-19-25-21(4)27(31-23(25)6)29(33)35-8-2/h30-31H,7-19H2,1-6H3
InChIKey MLNFJTYPXQNLSN-UHFFFAOYSA-N
Molecular Weight 486.697 g/mol
SMILES [nH]1c(c(CCCCCCCCCCCc2c([nH]c(c2C)C(=O)OCC)C)c(c1C(=O)OCC)C)C
SPLASH splash10-001i-0900800000-b1cb76ca948d34c55fc1
Source of Spectrum J-53-1349-9
Synonyms Ethyl 4-{11-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]undecyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1396539