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2-Butyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester

View entire compound with spectra: 1 MS (GC)

2-Butyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID F9RVYlDUlql
InChI InChI=1S/C12H17NO4/c1-4-5-6-9-10(12(15)17-3)8(7-13-9)11(14)16-2/h7,13H,4-6H2,1-3H3
InChIKey MSAUJVHKCPPIKM-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHRVu4wVH0L
Name 2-Butyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 2-butyl-1H-pyrrole-3,4-dicarboxylate
CAS Registry Number 101402-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-4-5-6-9-10(12(15)17-3)8(7-13-9)11(14)16-2/h7,13H,4-6H2,1-3H3
InChIKey MSAUJVHKCPPIKM-UHFFFAOYSA-N
Molecular Weight 239.271 g/mol
SMILES [nH]1c(c(c(c1)C(=O)OC)C(=O)OC)CCCC
SPLASH splash10-056r-0960000000-d4ddd4e178a99f523822
Source of Spectrum J-51-2003-42
Wiley ID 1241834