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METHYL-TRANS-2-METHYL-4-PHENYL-1-PYRROLINE-5-CARBOXYLATE
SpectraBase Compound ID BR2yLfRlaZ3
InChI InChI=1S/C13H15NO2/c1-9-8-11(10-6-4-3-5-7-10)12(14-9)13(15)16-2/h3-7,11-12H,8H2,1-2H3/t11-,12+/m1/s1
InChIKey IMRVYUCPGQTFHK-NEPJUHHUSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwIDTydJTXZ
Name 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-methyl-3-phenyl-, methyl ester, trans-(.+-.)-
Alternate Name(s) Methyl (2S,3R)-5-methyl-3-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate Methyl trans-2-methyl-4-phenyl-1-pyrroline-5-carboxylate
CAS Registry Number 127687-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-9-8-11(10-6-4-3-5-7-10)12(14-9)13(15)16-2/h3-7,11-12H,8H2,1-2H3/t11-,12+/m1/s1
InChIKey IMRVYUCPGQTFHK-NEPJUHHUSA-N
Molecular Weight 217.268 g/mol
SMILES [C@]1(N=C(C[C@@]1(c1ccccc1)[H])C)(C(=O)OC)[H]
SPLASH splash10-0a4i-0930000000-e8102a5939a0f33a532e
Source of Spectrum J-55-4416-9
Wiley ID 1216680