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1H-Pyrrole-2,5-dicarboxylic acid, 3-[2-(acetyloxy)ethyl]-4-methyl-, 2-(phenylmethyl) ester
SpectraBase Compound ID 9kwT89CTqEw
InChI InChI=1S/C18H19NO6/c1-11-14(8-9-24-12(2)20)16(19-15(11)17(21)22)18(23)25-10-13-6-4-3-5-7-13/h3-7,19H,8-10H2,1-2H3,(H,21,22)
InChIKey KGCZFJFTQHHNOI-UHFFFAOYSA-N
Mol Weight 345.35 g/mol
Molecular Formula C18H19NO6
Exact Mass 345.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59ZkVXMIjnR
Name 1H-Pyrrole-2,5-dicarboxylic acid, 3-[2-(acetyloxy)ethyl]-4-methyl-, 2-(phenylmethyl) ester
CAS Registry Number 87377-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO6
InChI InChI=1S/C18H19NO6/c1-11-14(8-9-24-12(2)20)16(19-15(11)17(21)22)18(23)25-10-13-6-4-3-5-7-13/h3-7,19H,8-10H2,1-2H3,(H,21,22)
InChIKey KGCZFJFTQHHNOI-UHFFFAOYSA-N
Molecular Weight 345.351 g/mol
SMILES [nH]1c(c(c(c1C(=O)O)C)CCOC(=O)C)C(OCc1ccccc1)=O
SPLASH splash10-0006-9500000000-0c0627f2768189fee99c
Source of Spectrum F-39-1853-0
Synonyms 4-[2-(acetyloxy)ethyl]-5-[(benzyloxy)carbonyl]-3-methyl-1H-pyrrole-2-carboxylic acid 5-Benzyloxycarbonyl-4-(2-acetoxyethyl)-3-methylpyrrole-2-carboxylic acid
Wiley ID 1338619