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[(1H)-Pyrrole-3-propanoic acid, 2-ethoxycarbonyl-4-ethoxycarbonylmethyl]-5,5'-methylene, bis-, diethyl ester
SpectraBase Compound ID 20hJvwGao8Y
InChI InChI=1S/C33H46N2O12/c1-7-42-26(36)15-13-20-22(17-28(38)44-9-3)24(34-30(20)32(40)46-11-5)19-25-23(18-29(39)45-10-4)21(14-16-27(37)43-8-2)31(35-25)33(41)47-12-6/h34-35H,7-19H2,1-6H3
InChIKey CNHSYJNGJJDSQY-UHFFFAOYSA-N
Mol Weight 662.7 g/mol
Molecular Formula C33H46N2O12
Exact Mass 662.305075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4le6Efwfxx6
Name [(1H)-Pyrrole-3-propanoic acid, 2-ethoxycarbonyl-4-ethoxycarbonylmethyl]-5,5'-methylene, bis-, diethyl ester
CAS Registry Number 116377-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H46N2O12
InChI InChI=1S/C33H46N2O12/c1-7-42-26(36)15-13-20-22(17-28(38)44-9-3)24(34-30(20)32(40)46-11-5)19-25-23(18-29(39)45-10-4)21(14-16-27(37)43-8-2)31(35-25)33(41)47-12-6/h34-35H,7-19H2,1-6H3
InChIKey CNHSYJNGJJDSQY-UHFFFAOYSA-N
Molecular Weight 662.733 g/mol
SMILES [nH]1c(Cc2c(c(c([nH]2)C(=O)OCC)CCC(=O)OCC)CC(=O)OCC)c(c(c1C(=O)OCC)CCC(=O)OCC)CC(=O)OCC
SPLASH splash10-07br-1245794000-b02cbd0e38d66505b70c
Synonyms 5-[[5-carbethoxy-3-(2-ethoxy-2-keto-ethyl)-4-(3-ethoxy-3-keto-propyl)-1H-pyrrol-2-yl]methyl]-4-(2-ethoxy-2-keto-ethyl)-3-(3-ethoxy-3-keto-propyl)-1H-pyrrole-2-carboxylic acid ethyl ester 5-[[5-ethoxycarbonyl-3-(2-ethoxy-2-oxoethyl)-4-(3-ethoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 5-[[5-ethoxycarbonyl-3-(2-ethoxy-2-oxidanylidene-ethyl)-4-(3-ethoxy-3-oxidanylidene-propyl)-1H-pyrrol-2-yl]methyl]-4-(2-ethoxy-2-oxidanylidene-ethyl)-3-(3-ethoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate Ethyl 5-[[5-ethoxycarbonyl-3-(2-ethoxy-2-oxo-ethyl)-4-(3-ethoxy-3-oxo-propyl)-1H-pyrrol-2-yl]methyl]-4-(2-ethoxy-2-oxo-ethyl)-3-(3-ethoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate
Wiley ID 1479069