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1H-Pyrrole-2-carboxylic acid, 4-(benzylaminomethyl)-3,5-dimethyl-, ethyl ester
SpectraBase Compound ID 27Akxs0gMXi
InChI InChI=1S/C17H22N2O2/c1-4-21-17(20)16-12(2)15(13(3)19-16)11-18-10-14-8-6-5-7-9-14/h5-9,18-19H,4,10-11H2,1-3H3
InChIKey QHEQWDJMQSUZDF-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C17H22N2O2
Exact Mass 286.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yGwyuYjaqc
Name 1H-Pyrrole-2-carboxylic acid, 4-(benzylaminomethyl)-3,5-dimethyl-, ethyl ester
Alternate Name(s) 3,5-Dimethyl-4-[[(phenylmethyl)amino]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester 4-[(benzylamino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 3,5-dimethyl-4-[[(phenylmethyl)amino]methyl]-1H-pyrrole-2-carboxylate Ethyl 4-[(benzylamino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
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Formula C17H22N2O2
InChI InChI=1S/C17H22N2O2/c1-4-21-17(20)16-12(2)15(13(3)19-16)11-18-10-14-8-6-5-7-9-14/h5-9,18-19H,4,10-11H2,1-3H3
InChIKey QHEQWDJMQSUZDF-UHFFFAOYSA-N
Molecular Weight 286.375 g/mol
SMILES [nH]1c(c(CNCc2ccccc2)c(c1C(=O)OCC)C)C
SPLASH splash10-003u-9800000000-45fe9f9b545335180bd1
Wiley ID 1440596