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(2S,3S,5R)-1-methyl-5-nonyl-2-(phenylmethyl)-3-pyrrolidinol

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(2S,3S,5R)-1-methyl-5-nonyl-2-(phenylmethyl)-3-pyrrolidinol
SpectraBase Compound ID K43ECkAMbKg
InChI InChI=1S/C21H35NO/c1-3-4-5-6-7-8-12-15-19-17-21(23)20(22(19)2)16-18-13-10-9-11-14-18/h9-11,13-14,19-21,23H,3-8,12,15-17H2,1-2H3/t19-,20+,21+/m1/s1
InChIKey GBCXKHLKJHRTAB-HKBOAZHASA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2GeMXMS0THD
Name (2S,3S,5R)-1-Methyl-5-nonyl-2-(phenylmethyl)-3-pyrrolidinol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.271864750 u
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-3-4-5-6-7-8-12-15-19-17-21(23)20(22(19)2)16-18-13-10-9-11-14-18/h9-11,13-14,19-21,23H,3-8,12,15-17H2,1-2H3/t19-,20+,21+/m1/s1
InChIKey GBCXKHLKJHRTAB-HKBOAZHASA-N
Molecular Weight 317.517 g/mol
SMILES CN1[C@@](CC=2C=CC=CC2)([C@@](O)(C[C@]1(CCCCCCCCC)[H])[H])[H]