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2-Methyl-5-phenyl-4-pyrrolinecarboxylic acid t-butyl ester
SpectraBase Compound ID CQnhWH46z89
InChI InChI=1S/C16H21NO2/c1-11-10-13(15(18)19-16(2,3)4)14(17-11)12-8-6-5-7-9-12/h5-10,13-14,17H,1-4H3
InChIKey GDXXJUCZNQFJIH-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dt3UaLFs7EW
Name 2-Methyl-5-phenyl-4-pyrrolinecarboxylic acid t-butyl ester
Alternate Name(s) tert-Butyl 5-methyl-2-phenyl-2,3-dihydro-1H-pyrrole-3-carboxylate
CAS Registry Number 113544-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-11-10-13(15(18)19-16(2,3)4)14(17-11)12-8-6-5-7-9-12/h5-10,13-14,17H,1-4H3
InChIKey GDXXJUCZNQFJIH-UHFFFAOYSA-N
Molecular Weight 259.349 g/mol
SMILES N1C(=CC(C1c1ccccc1)C(OC(C)(C)C)=O)C
SPLASH splash10-0zfr-0390000000-cc627c920d2a18b42c30
Source of Spectrum AJ-60-3357-14
Wiley ID 1262877