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2H-Pyrrole-3-carboxylic acid, 3,4-dihydro-4-methyl-2-phenyl-5-(phenylmethyl)-, 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-2-phenyl-5-(phenylmethyl)-, methyl ester, (2.alpha.,3.alpha.,4.beta.)-
SpectraBase Compound ID 28hCZT3ZWpE
InChI InChI=1S/C20H21NO2/c1-14-17(13-15-9-5-3-6-10-15)21-19(18(14)20(22)23-2)16-11-7-4-8-12-16/h3-12,14,18-19H,13H2,1-2H3/t14-,18+,19+/m0/s1
InChIKey WFKWYJYZHAGHPT-GDIGMMSISA-N
Mol Weight 307.39 g/mol
Molecular Formula C20H21NO2
Exact Mass 307.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iddFWzWl7v
Name 2H-Pyrrole-3-carboxylic acid, 3,4-dihydro-4-methyl-2-phenyl-5-(phenylmethyl)-, methyl ester, (2.alpha.,3.alpha.,4.beta.)-
CAS Registry Number 113544-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO2
InChI InChI=1S/C20H21NO2/c1-14-17(13-15-9-5-3-6-10-15)21-19(18(14)20(22)23-2)16-11-7-4-8-12-16/h3-12,14,18-19H,13H2,1-2H3/t14-,18+,19+/m0/s1
InChIKey WFKWYJYZHAGHPT-GDIGMMSISA-N
Molecular Weight 307.393 g/mol
SMILES [C@]1(N=C([C@@]([C@]1(C(=O)OC)[H])(C)[H])Cc1ccccc1)(c1ccccc1)[H]
SPLASH splash10-052f-9541000000-2e43d4bafbbcd97dc934
Source of Spectrum AJ-60-3357-14
Synonyms 4,5-cis-2-benzyl-5-phenyl-3-methyl-4-methoxycarbonylpyrroline Methyl (2S,3R,4R)-5-benzyl-4-methyl-2-phenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
Wiley ID 1309179