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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 DzHwmFCc3F0
Name 5-Acetoxymethyl-3,4-bis-ethoxycarbonylmethyl-1H-pyrrole-2-carboxylic acid, benzyl ester
CAS Registry Number 124481-57-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 445.468 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)CC(=O)OCC)CC(=O)OCC)COC(=O)C
SPLASH splash10-0006-9242000000-500b6cd6d4518c11c35d
Synonyms (phenylmethyl) 5-(acetyloxymethyl)-3,4-bis(2-ethoxy-2-oxidanylidene-ethyl)-1H-pyrrole-2-carboxylate 5-(acetoxymethyl)-3,4-bis(2-ethoxy-2-keto-ethyl)-1H-pyrrole-2-carboxylic acid benzyl ester 5-(acetyloxymethyl)-3,4-bis(2-ethoxy-2-oxoethyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester benzyl 5-(acetoxymethyl)-3,4-bis(2-ethoxy-2-oxo-ethyl)-1H-pyrrole-2-carboxylate benzyl 5-(acetyloxymethyl)-3,4-bis(2-ethoxy-2-oxoethyl)-1H-pyrrole-2-carboxylate
Wiley ID 1484375