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1-Piperidineethanol, 4-hydroxy-alpha-[[2-(1-hydroxy-3-phenylpropyl)phenoxy]methyl]-4-phenyl-
SpectraBase Compound ID KbyAP0L5aB9
InChI InChI=1S/C29H35NO4/c31-25(21-30-19-17-29(33,18-20-30)24-11-5-2-6-12-24)22-34-28-14-8-7-13-26(28)27(32)16-15-23-9-3-1-4-10-23/h1-14,25,27,31-33H,15-22H2
InChIKey DQWQVUKKDPHLBK-UHFFFAOYSA-N
Mol Weight 461.6 g/mol
Molecular Formula C29H35NO4
Exact Mass 461.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9n2LL4wBP4
Name 1-Piperidineethanol, 4-hydroxy-alpha-[[2-(1-hydroxy-3-phenylpropyl)phenoxy]methyl]-4-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.256608607 u
Formula C29H35NO4
InChI InChI=1S/C29H35NO4/c31-25(21-30-19-17-29(33,18-20-30)24-11-5-2-6-12-24)22-34-28-14-8-7-13-26(28)27(32)16-15-23-9-3-1-4-10-23/h1-14,25,27,31-33H,15-22H2
InChIKey DQWQVUKKDPHLBK-UHFFFAOYSA-N
Molecular Weight 461.602 g/mol
SMILES OC1(CCN(CC(COC=2C(=CC=CC2)C(CCC2=CC=CC=C2)O)O)CC1)C1=CC=CC=C1