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cis-1-(2-Phenylethanol)-2-butyl-5-heptylpyrrolidine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

cis-1-(2-Phenylethanol)-2-butyl-5-heptylpyrrolidine
SpectraBase Compound ID 6mdjogpQNJk
InChI InChI=1S/C23H39NO/c1-3-5-7-8-12-16-22-18-17-21(15-6-4-2)24(22)19-23(25)20-13-10-9-11-14-20/h9-11,13-14,21-23,25H,3-8,12,15-19H2,1-2H3/t21-,22+,23?/m0/s1
InChIKey KDUIVVPWVUXIJR-ZVTBYLAHSA-N
Mol Weight 345.6 g/mol
Molecular Formula C23H39NO
Exact Mass 345.303165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HhwSOifwtx
Name cis-1-(2-Phenylethanol)-2-butyl-5-heptylpyrrolidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.303164879 u
Formula C23H39NO
InChI InChI=1S/C23H39NO/c1-3-5-7-8-12-16-22-18-17-21(15-6-4-2)24(22)19-23(25)20-13-10-9-11-14-20/h9-11,13-14,21-23,25H,3-8,12,15-19H2,1-2H3/t21-,22+,23?/m0/s1
InChIKey KDUIVVPWVUXIJR-ZVTBYLAHSA-N
Molecular Weight 345.571 g/mol
SMILES C(N1[C@@](CC[C@@]1(CCCC)[H])(CCCCCCC)[H])C(C=1C=CC=CC1)O