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2-Pyrrolidineethanol, 1-methyl-.alpha.-(4-phenyl-3-butenyl)-, [R*,S*-(E)]-(+)-
SpectraBase Compound ID 8mZz7tG3swG
InChI InChI=1S/C17H25NO/c1-18-13-7-11-16(18)14-17(19)12-6-5-10-15-8-3-2-4-9-15/h2-5,8-10,16-17,19H,6-7,11-14H2,1H3/b10-5+/t16-,17+/m0/s1
InChIKey WKXFBVJTZFLUBO-XYGPEJJOSA-N
Mol Weight 259.39 g/mol
Molecular Formula C17H25NO
Exact Mass 259.193614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID rWIC5hIvd7
Name 2-Pyrrolidineethanol, 1-methyl-.alpha.-(4-phenyl-3-butenyl)-, [R*,S*-(E)]-(+)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.193614428 u
Formula C17H25NO
InChI InChI=1S/C17H25NO/c1-18-13-7-11-16(18)14-17(19)12-6-5-10-15-8-3-2-4-9-15/h2-5,8-10,16-17,19H,6-7,11-14H2,1H3/b10-5+/t16-,17+/m0/s1
InChIKey WKXFBVJTZFLUBO-XYGPEJJOSA-N
Molecular Weight 259.393 g/mol
SMILES [C@]1(N(CCC1)C)(C[C@](O)(CC\C=C\C1=CC=CC=C1)[H])[H]