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1H-Pyrrole-2,5-dicarboxylic acid, 3-(4-methoxy-4-oxobutyl)-4-methyl-, 2-methyl ester
SpectraBase Compound ID LXM0f7bET5g
InChI InChI=1S/C13H17NO6/c1-7-8(5-4-6-9(15)19-2)11(13(18)20-3)14-10(7)12(16)17/h14H,4-6H2,1-3H3,(H,16,17)
InChIKey UYOVRUCGSYSCQV-UHFFFAOYSA-N
Mol Weight 283.28 g/mol
Molecular Formula C13H17NO6
Exact Mass 283.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QQHcn4AGkQ
Name 1H-Pyrrole-2,5-dicarboxylic acid, 3-(4-methoxy-4-oxobutyl)-4-methyl-, 2-methyl ester
CAS Registry Number 99602-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO6
InChI InChI=1S/C13H17NO6/c1-7-8(5-4-6-9(15)19-2)11(13(18)20-3)14-10(7)12(16)17/h14H,4-6H2,1-3H3,(H,16,17)
InChIKey UYOVRUCGSYSCQV-UHFFFAOYSA-N
Molecular Weight 283.280 g/mol
SMILES [nH]1c(C(=O)O)c(c(CCCC(=O)OC)c1C(=O)OC)C
SPLASH splash10-0a59-0090000000-90191d2830a7cd03acdd
Source of Spectrum KC-1985-1704-17
Synonyms 2-Methoxycarbonyl-3-(3-methoxycarbonylpropyl)-4-methylpyrrole-5-carboxylic acid 5-(methoxycarbonyl)-4-(4-methoxy-4-oxobutyl)-3-methyl-1H-pyrrole-2-carboxylic acid
Wiley ID 1286779