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2H-Pyrrole-3-carboxylic acid, 3,4-dihydro-4-methyl-5-(1-methylethyl)-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,4.beta.)-

View entire compound with spectra: 1 MS (GC)

2H-Pyrrole-3-carboxylic acid, 3,4-dihydro-4-methyl-5-(1-methylethyl)-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,4.beta.)-
SpectraBase Compound ID BBqLFJCTIy1
InChI InChI=1S/C16H21NO2/c1-10(2)14-11(3)13(16(18)19-4)15(17-14)12-8-6-5-7-9-12/h5-11,13,15H,1-4H3/t11-,13-,15-/m1/s1
InChIKey LPEWXAVTRVVJSD-UXIGCNINSA-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 4vYwNjlWn0j
Name 2H-Pyrrole-3-carboxylic acid, 3,4-dihydro-4-methyl-5-(1-methylethyl)-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,4.beta.)-
Alternate Name(s) 4-Methoxycarbonyl-2-(1-methylethyl)-3-methyl-5-phenyl-1-pyrroline Methyl (2S,3R,4R)-5-isopropyl-4-methyl-2-phenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
CAS Registry Number 113298-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-10(2)14-11(3)13(16(18)19-4)15(17-14)12-8-6-5-7-9-12/h5-11,13,15H,1-4H3/t11-,13-,15-/m1/s1
InChIKey LPEWXAVTRVVJSD-UXIGCNINSA-N
Molecular Weight 259.349 g/mol
SMILES [C@]1(N=C([C@@]([C@]1(C(=O)OC)[H])(C)[H])C(C)C)(c1ccccc1)[H]
SPLASH splash10-0a4i-1930000000-7eb3daecbb3e82534b82
Source of Spectrum AJ-60-3364-2
Wiley ID 1262878