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1,11-bis[5-(ethoxycarbonyl)-2,4-dimethylpyrrol-3-yl]-1,11-undecanedione
SpectraBase Compound ID 8HDDCOYcxCg
InChI InChI=1S/C29H42N2O6/c1-7-36-28(34)26-18(3)24(20(5)30-26)22(32)16-14-12-10-9-11-13-15-17-23(33)25-19(4)27(31-21(25)6)29(35)37-8-2/h30-31H,7-17H2,1-6H3
InChIKey GVHFDKIIIRVOTH-UHFFFAOYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C29H42N2O6
Exact Mass 514.304287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ThBVLSct0n
Name 1,11-bis[5-(ethoxycarbonyl)-2,4-dimethylpyrrol-3-yl]-1,11-undecanedione
Alternate Name(s) Ethyl 4-{11-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]-11-oxoundecanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Registry Number 87281-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H42N2O6
InChI InChI=1S/C29H42N2O6/c1-7-36-28(34)26-18(3)24(20(5)30-26)22(32)16-14-12-10-9-11-13-15-17-23(33)25-19(4)27(31-21(25)6)29(35)37-8-2/h30-31H,7-17H2,1-6H3
InChIKey GVHFDKIIIRVOTH-UHFFFAOYSA-N
Molecular Weight 514.663 g/mol
SMILES [nH]1c(c(c(C(CCCCCCCCCC(c2c(c([nH]c2C)C(=O)OCC)C)=O)=O)c1C)C)C(=O)OCC
SPLASH splash10-052g-0930010000-22e975795451815c220e
Source of Spectrum J-53-1349-8
Wiley ID 1401137