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(2R,3R,5R)-N-Methoxycarbonyl-2-benzyl-5-nonyl-3-pyrrolidinol

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(2R,3R,5R)-N-Methoxycarbonyl-2-benzyl-5-nonyl-3-pyrrolidinol
SpectraBase Compound ID ItWZ10jfJ0T
InChI InChI=1S/C22H35NO3/c1-3-4-5-6-7-8-12-15-19-17-21(24)20(23(19)22(25)26-2)16-18-13-10-9-11-14-18/h9-11,13-14,19-21,24H,3-8,12,15-17H2,1-2H3/t19-,20-,21-/m1/s1
InChIKey SERDRYDDZMIFSE-NJDAHSKKSA-N
Mol Weight 361.5 g/mol
Molecular Formula C22H35NO3
Exact Mass 361.261694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47qycl28HKd
Name (2R,3R,5R)-N-Methoxycarbonyl-2-benzyl-5-nonyl-3-pyrrolidinol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.261693988 u
Formula C22H35NO3
InChI InChI=1S/C22H35NO3/c1-3-4-5-6-7-8-12-15-19-17-21(24)20(23(19)22(25)26-2)16-18-13-10-9-11-14-18/h9-11,13-14,19-21,24H,3-8,12,15-17H2,1-2H3/t19-,20-,21-/m1/s1
InChIKey SERDRYDDZMIFSE-NJDAHSKKSA-N
Molecular Weight 361.526 g/mol
SMILES [C@]1(N([C@@](C[C@]1(O)[H])(CCCCCCCCC)[H])C(=O)OC)(CC1=CC=CC=C1)[H]