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2-Butyl-2-pyrroline-3,4-dicarboxylic acid dimethyl ester

View entire compound with spectra: 1 MS (GC)

2-Butyl-2-pyrroline-3,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID DRan4M6mgA5
InChI InChI=1S/C12H19NO4/c1-4-5-6-9-10(12(15)17-3)8(7-13-9)11(14)16-2/h8,13H,4-7H2,1-3H3
InChIKey VNZPNJBFYBAXDB-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ce79Scy7opl
Name 2-Butyl-2-pyrroline-3,4-dicarboxylic acid dimethyl ester
Alternate Name(s) 5-Butyl-2,3-dihydro-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester Dimethyl 5-butyl-2,3-dihydro-1H-pyrrole-3,4-dicarboxylate
CAS Registry Number 101402-40-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-4-5-6-9-10(12(15)17-3)8(7-13-9)11(14)16-2/h8,13H,4-7H2,1-3H3
InChIKey VNZPNJBFYBAXDB-UHFFFAOYSA-N
Molecular Weight 241.287 g/mol
SMILES N1CC(C(=C1CCCC)C(=O)OC)C(=O)OC
SPLASH splash10-0a4r-9120000000-6b6d415a51d34d8d48c5
Source of Spectrum J-51-2002-31
Wiley ID 1244011