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1H-Pyrrole-3-acetic acid, 2-[[5-(ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrol-2-y l]methyl]-4-methyl-5-[(phenylmethoxy)carbonyl]-, methyl ester
SpectraBase Compound ID EUu5XDYQlzd
InChI InChI=1S/C29H34N2O8/c1-6-37-25(33)14-21-17(3)22(30-27(21)29(35)38-7-2)15-23-20(13-24(32)36-5)18(4)26(31-23)28(34)39-16-19-11-9-8-10-12-19/h8-12,30-31H,6-7,13-16H2,1-5H3
InChIKey HVCYQYMVZXZWME-UHFFFAOYSA-N
Mol Weight 538.6 g/mol
Molecular Formula C29H34N2O8
Exact Mass 538.231516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FXrp9GHiLJ
Name 1H-Pyrrole-3-acetic acid, 2-[[5-(ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrol-2-y l]methyl]-4-methyl-5-[(phenylmethoxy)carbonyl]-, methyl ester
CAS Registry Number 87377-74-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H34N2O8
InChI InChI=1S/C29H34N2O8/c1-6-37-25(33)14-21-17(3)22(30-27(21)29(35)38-7-2)15-23-20(13-24(32)36-5)18(4)26(31-23)28(34)39-16-19-11-9-8-10-12-19/h8-12,30-31H,6-7,13-16H2,1-5H3
InChIKey HVCYQYMVZXZWME-UHFFFAOYSA-N
Molecular Weight 538.597 g/mol
SMILES [nH]1c(Cc2c(c(c([nH]2)C(OCc2ccccc2)=O)C)CC(=O)OC)c(c(c1C(=O)OCC)CC(=O)OCC)C
SPLASH splash10-006y-9006830000-71411247e898e90770c3
Source of Spectrum F-39-1854-0
Synonyms Benzyl 3-(methoxycarbonylmethyl)-4'-(ethoxycarbonylmethyl-3',4-dimethyl-5'-ethoxycarbonylpyrromethane-5-carboxylate Ethyl 5-{[5-[(benzyloxy)carbonyl]-3-(2-methoxy-2-oxoethyl)-4-methyl-1H-pyrrol-2-yl]methyl}-3-(2-ethoxy-2-oxoethyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1404328