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5-Acetoxymethyl-3,4-bis-ethoxycarbonylmethyl-1H-pyrrole-2-carboxylic acid, benzyl ester
SpectraBase Compound ID MJSHjyYfML
InChI InChI=1S/C23H27NO8/c1-4-29-20(26)11-17-18(12-21(27)30-5-2)22(24-19(17)14-31-15(3)25)23(28)32-13-16-9-7-6-8-10-16/h6-10,24H,4-5,11-14H2,1-3H3
InChIKey OGXJSPWMWNLQOL-UHFFFAOYSA-N
Mol Weight 445.47 g/mol
Molecular Formula C23H27NO8
Exact Mass 445.173667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6h7xbnevhY1
Name 5-ACETOXYMETHYL-3,4-BIS-ETHOXYCARBONYLMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID, BENZYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H27NO8
InChI InChI=1S/C23H27NO8/c1-4-29-20(26)11-17-18(12-21(27)30-5-2)22(24-19(17)14-31-15(3)25)23(28)32-13-16-9-7-6-8-10-16/h6-10,24H,4-5,11-14H2,1-3H3
InChIKey OGXJSPWMWNLQOL-UHFFFAOYSA-N
Molecular Weight 445.1729
SMILES [nH]1c(c(c(c1COC(=O)C)CC(=O)OCC)CC(=O)OCC)C(=O)OCc1ccccc1
SPLASH splash10-0006-9242000000-21331af554b415ec3d93
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany