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2H-Pyrrole-3-carboxylic acid, 2-ethyl-3,4-dihydro-4-methyl-5-phenyl-, methyl ester, (2.alpha.,3.alpha.,4.beta.)-
SpectraBase Compound ID 2B79zjdfBaW
InChI InChI=1S/C15H19NO2/c1-4-12-13(15(17)18-3)10(2)14(16-12)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3/t10-,12-,13-/m1/s1
InChIKey XWJJRAGNCUIQPA-RAIGVLPGSA-N
Mol Weight 245.32 g/mol
Molecular Formula C15H19NO2
Exact Mass 245.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SfwEC5WPv7
Name 2H-Pyrrole-3-carboxylic acid, 2-ethyl-3,4-dihydro-4-methyl-5-phenyl-, methyl ester, (2.alpha.,3.alpha.,4.beta.)-
CAS Registry Number 113298-23-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO2
InChI InChI=1S/C15H19NO2/c1-4-12-13(15(17)18-3)10(2)14(16-12)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3/t10-,12-,13-/m1/s1
InChIKey XWJJRAGNCUIQPA-RAIGVLPGSA-N
Molecular Weight 245.322 g/mol
SMILES C1(=N[C@@]([C@@]([C@]1(C)[H])(C(=O)OC)[H])(CC)[H])c1ccccc1
SPLASH splash10-000t-0920000000-33856671825a60129e7c
Source of Spectrum AJ-60-3358-14
Synonyms 5-Ethyl-2-phenyl-3-methyl-4-carboxymethyl-1-pyrroline 4-Methoxycarbonyl-3-methyl-2-phenyl-5-ethyl-1-pyrroline Methyl (2R,3R,4R)-2-ethyl-4-methyl-5-phenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
Wiley ID 1248136