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1H-Pyrrole-2,5-dicarboxylic acid, 3-(2-methoxycarbonylethyl)-4-methyl-, 2-t-butyl ester
SpectraBase Compound ID 324jgsdygyu
InChI InChI=1S/C15H21NO6/c1-8-9(6-7-10(17)21-5)12(16-11(8)13(18)19)14(20)22-15(2,3)4/h16H,6-7H2,1-5H3,(H,18,19)
InChIKey YCTRTQMBAIBVBK-UHFFFAOYSA-N
Mol Weight 311.33 g/mol
Molecular Formula C15H21NO6
Exact Mass 311.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A48yXV9dfZ2
Name 1H-Pyrrole-2,5-dicarboxylic acid, 3-(2-methoxycarbonylethyl)-4-methyl-, 2-t-butyl ester
CAS Registry Number 31837-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO6
InChI InChI=1S/C15H21NO6/c1-8-9(6-7-10(17)21-5)12(16-11(8)13(18)19)14(20)22-15(2,3)4/h16H,6-7H2,1-5H3,(H,18,19)
InChIKey YCTRTQMBAIBVBK-UHFFFAOYSA-N
Molecular Weight 311.334 g/mol
SMILES [nH]1c(C(=O)O)c(c(c1C(=O)OC(C)(C)C)CCC(OC)=O)C
SPLASH splash10-01ot-0931000000-747d0b4e8efd24c92df9
Source of Spectrum SO-0-94-16
Synonyms 4-(3-Methoxy-3-oxidanylidene-propyl)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-2-carboxylic acid 4-(3-Methoxy-3-oxopropyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-1H-pyrrole-2-carboxylic acid 4-(3-Methoxy-3-oxopropyl)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-2-carboxylic acid 5-tert-Butoxycarbonyl-4-(3-keto-3-methoxy-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid 5-tert-Butoxycarbonyl-4-(3-methoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid
Wiley ID 1611805