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1H-Pyrrole-3-propanoic acid, 5-carboxy-2-ethoxycarbonyl-4-ethoxycarbonylmethyl-, ethyl ester
SpectraBase Compound ID 47GZ7VkmS2e
InChI InChI=1S/C17H23NO8/c1-4-24-12(19)8-7-10-11(9-13(20)25-5-2)14(16(21)22)18-15(10)17(23)26-6-3/h18H,4-9H2,1-3H3,(H,21,22)
InChIKey HDBAZDXUKYLHIS-UHFFFAOYSA-N
Mol Weight 369.37 g/mol
Molecular Formula C17H23NO8
Exact Mass 369.142367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWx3lZBZ6wv
Name 1H-Pyrrole-3-propanoic acid, 5-carboxy-2-ethoxycarbonyl-4-ethoxycarbonylmethyl-, ethyl ester
CAS Registry Number 109592-80-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO8
InChI InChI=1S/C17H23NO8/c1-4-24-12(19)8-7-10-11(9-13(20)25-5-2)14(16(21)22)18-15(10)17(23)26-6-3/h18H,4-9H2,1-3H3,(H,21,22)
InChIKey HDBAZDXUKYLHIS-UHFFFAOYSA-N
Molecular Weight 369.370 g/mol
SMILES [nH]1c(C(=O)O)c(c(c1C(=O)OCC)CCC(=O)OCC)CC(=O)OCC
SPLASH splash10-006t-3591000000-0ba649b70286a8eb1939
Synonyms 5-carbethoxy-3-(2-ethoxy-2-keto-ethyl)-4-(3-ethoxy-3-keto-propyl)-1H-pyrrole-2-carboxylic acid 5-Ethoxycarbonyl-3-(2-ethoxy-2-oxidanylidene-ethyl)-4-(3-ethoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylic acid 5-Ethoxycarbonyl-3-(2-ethoxy-2-oxo-ethyl)-4-(3-ethoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylic acid
Wiley ID 1479619