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4-Acetyl-3-(2-keto-2-methoxy-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid methyl ester
SpectraBase Compound ID BtlZNp0uwo0
InChI InChI=1S/C12H15NO5/c1-6-10(7(2)14)8(5-9(15)17-3)11(13-6)12(16)18-4/h13H,5H2,1-4H3
InChIKey BNKCHPNWOKORPM-UHFFFAOYSA-N
Mol Weight 253.25 g/mol
Molecular Formula C12H15NO5
Exact Mass 253.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5THS7XNQNzR
Name 4-Acetyl-3-(2-keto-2-methoxy-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid methyl ester
CAS Registry Number 73869-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO5
InChI InChI=1S/C12H15NO5/c1-6-10(7(2)14)8(5-9(15)17-3)11(13-6)12(16)18-4/h13H,5H2,1-4H3
InChIKey BNKCHPNWOKORPM-UHFFFAOYSA-N
Molecular Weight 253.254 g/mol
SMILES [nH]1c(c(c(c1C(=O)OC)CC(=O)OC)C(=O)C)C
SPLASH splash10-022c-0790000000-786dbe8ce6d06c172ad8
Source of Spectrum J-63-8779-9
Synonyms 4-Acetyl-3-methoxycarbonylmethyl-5-methyl-1H-pyrrole-2-carboxylic acid, methyl ester 4-Acetyl-3-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylic acid methyl ester Methyl 4-acetyl-3-(2-methoxy-2-oxo-ethyl)-5-methyl-1H-pyrrole-2-carboxylate Methyl 4-ethanoyl-3-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1256665