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(2'S,3'S)-1-[3'-(2''-Phenylethyl)-2',3'-dihydro-2'-benzofuryl]-2-(1'-piperidyl)ethanol

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(2'S,3'S)-1-[3'-(2''-Phenylethyl)-2',3'-dihydro-2'-benzofuryl]-2-(1'-piperidyl)ethanol
SpectraBase Compound ID FacsedlAfS5
InChI InChI=1S/C23H29NO2/c25-21(17-24-15-7-2-8-16-24)23-20(14-13-18-9-3-1-4-10-18)19-11-5-6-12-22(19)26-23/h1,3-6,9-12,20-21,23,25H,2,7-8,13-17H2/t20-,21?,23-/m0/s1
InChIKey WXYWDEZLAOBARR-PDATXNNJSA-N
Mol Weight 351.49 g/mol
Molecular Formula C23H29NO2
Exact Mass 351.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQ0MjQ4nrAI
Name (2'S,3'S)-1-[3'-(2''-Phenylethyl)-2',3'-dihydro-2'-benzofuryl]-2-(1'-piperidyl)ethanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.219829176 u
Formula C23H29NO2
InChI InChI=1S/C23H29NO2/c25-21(17-24-15-7-2-8-16-24)23-20(14-13-18-9-3-1-4-10-18)19-11-5-6-12-22(19)26-23/h1,3-6,9-12,20-21,23,25H,2,7-8,13-17H2/t20-,21?,23-/m0/s1
InChIKey WXYWDEZLAOBARR-PDATXNNJSA-N
Molecular Weight 351.490 g/mol
SMILES [C@]1(OC=2C([C@@]1(CCC1=CC=CC=C1)[H])=CC=CC2)(C(CN1CCCCC1)O)[H]