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4-[6-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-6-keto-hexanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID 6FqyY67kMui
InChI InChI=1S/C24H32N2O6/c1-7-31-23(29)21-13(3)19(15(5)25-21)17(27)11-9-10-12-18(28)20-14(4)22(26-16(20)6)24(30)32-8-2/h25-26H,7-12H2,1-6H3
InChIKey XYJVZRUCTYPTMR-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C24H32N2O6
Exact Mass 444.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DIrpT7cE1P
Name 4-[6-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-6-keto-hexanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
CAS Registry Number 119233-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O6
InChI InChI=1S/C24H32N2O6/c1-7-31-23(29)21-13(3)19(15(5)25-21)17(27)11-9-10-12-18(28)20-14(4)22(26-16(20)6)24(30)32-8-2/h25-26H,7-12H2,1-6H3
InChIKey XYJVZRUCTYPTMR-UHFFFAOYSA-N
Molecular Weight 444.528 g/mol
SMILES [nH]1c(c(c(C(CCCCC(c2c(c([nH]c2C)C(=O)OCC)C)=O)=O)c1C)C)C(=O)OCC
SPLASH splash10-0a4l-0390600000-fc35d4eabc74f398cf82
Source of Spectrum Y-25-888-2
Synonyms 4-[6-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-1,6-dioxohexyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 4-[6-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-6-oxidanylidene-hexanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Ethyl 4-[6-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-6-oxohexanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1385996