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(1S,4aR,8aS)-1-phenyl-8a-(1-pyrrolidinyl)-2,4a,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylic acid methyl ester
SpectraBase Compound ID EEK4VSzKBAk
InChI InChI=1S/C21H28N2O2/c1-25-20(24)18-15-17-11-5-6-12-21(17,23-13-7-8-14-23)19(22-18)16-9-3-2-4-10-16/h2-4,9-10,15,17,19,22H,5-8,11-14H2,1H3/t17-,19+,21+/m1/s1
InChIKey OSHDPFSNPYMUNH-LMNJBCLMSA-N
Mol Weight 340.47 g/mol
Molecular Formula C21H28N2O2
Exact Mass 340.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOjGfY2Gxq2
Name (1S,4aR,8aS)-1-phenyl-8a-(1-pyrrolidinyl)-2,4a,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O2
InChI InChI=1S/C21H28N2O2/c1-25-20(24)18-15-17-11-5-6-12-21(17,23-13-7-8-14-23)19(22-18)16-9-3-2-4-10-16/h2-4,9-10,15,17,19,22H,5-8,11-14H2,1H3/t17-,19+,21+/m1/s1
InChIKey OSHDPFSNPYMUNH-LMNJBCLMSA-N
Molecular Weight 340.467 g/mol
SMILES N1C(=C[C@]2(CCCC[C@]2([C@@]1(c1ccccc1)[H])N1CCCC1)[H])C(=O)OC
SPLASH splash10-01td-3942000000-14b8ee9a83627b6c03a0
Source of Spectrum F-50-13720-15
Synonyms (1S,4aR,8aS)-1-phenyl-8a-pyrrolidino-2,4a,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylic acid methyl ester Methyl (1S,4aR,8aS)-1-phenyl-8a-pyrrolidin-1-yl-2,4a,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylate
Wiley ID 790253