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2H-Pyrrole-3-carboxylic acid, 3,4-dihydro-4-methyl-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,4.beta.)-
SpectraBase Compound ID AV0GSp4hPt2
InChI InChI=1S/C13H15NO2/c1-9-8-14-12(11(9)13(15)16-2)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/t9-,11+,12+/m0/s1
InChIKey ZBBUBJJCYIOTSS-MVWJERBFSA-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 4EYXsuhVkL2
Name 2H-Pyrrole-3-carboxylic acid, 3,4-dihydro-4-methyl-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,4.beta.)-
Alternate Name(s) 4-Methoxycarbonyl-3-methyl-5-phenyl-1-pyrroline Methyl (2S,3R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
CAS Registry Number 113298-16-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-9-8-14-12(11(9)13(15)16-2)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/t9-,11+,12+/m0/s1
InChIKey ZBBUBJJCYIOTSS-MVWJERBFSA-N
Molecular Weight 217.268 g/mol
SMILES [C@]1(N=C[C@@]([C@]1(C(=O)OC)[H])(C)[H])(c1ccccc1)[H]
SPLASH splash10-00kf-9500000000-b8a51c38f89781e240b1
Source of Spectrum AJ-60-3364-2
Wiley ID 1216682