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5-(bromomethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID JFDTYOJn5z5
InChI InChI=1S/C12H16BrNO4/c1-4-17-11(15)9-7(3)10(12(16)18-5-2)14-8(9)6-13/h14H,4-6H2,1-3H3
InChIKey YFNAQTXYIOAWOW-UHFFFAOYSA-N
Mol Weight 318.17 g/mol
Molecular Formula C12H16BrNO4
Exact Mass 317.026271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ln7Em6ChzZx
Name 5-(bromomethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16BrNO4
InChI InChI=1S/C12H16BrNO4/c1-4-17-11(15)9-7(3)10(12(16)18-5-2)14-8(9)6-13/h14H,4-6H2,1-3H3
InChIKey YFNAQTXYIOAWOW-UHFFFAOYSA-N
Molecular Weight 318.167 g/mol
SMILES [nH]1c(c(c(c1CBr)C(=O)OCC)C)C(=O)OCC
SPLASH splash10-000i-0392000000-6beeb2a23c66046ebc92
Source of Spectrum Y-28-1690-2
Synonyms Diethyl 5-(bromomethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
Wiley ID 1317496