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4-(3-(4-(1-Hydroxy-1-phenylpentyl)piperidin-1-yl)propoxy)benzonitrile

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4-(3-(4-(1-Hydroxy-1-phenylpentyl)piperidin-1-yl)propoxy)benzonitrile
SpectraBase Compound ID 8JKWpYxWmk4
InChI InChI=1S/C26H34N2O2/c1-2-3-16-26(29,23-8-5-4-6-9-23)24-14-18-28(19-15-24)17-7-20-30-25-12-10-22(21-27)11-13-25/h4-6,8-13,24,29H,2-3,7,14-20H2,1H3
InChIKey JJAPANZDGHTBJO-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C26H34N2O2
Exact Mass 406.262028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APi0xeHliWo
Name 4-(3-(4-(1-Hydroxy-1-phenylpentyl)piperidin-1-yl)propoxy)benzonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.262028341 u
Formula C26H34N2O2
InChI InChI=1S/C26H34N2O2/c1-2-3-16-26(29,23-8-5-4-6-9-23)24-14-18-28(19-15-24)17-7-20-30-25-12-10-22(21-27)11-13-25/h4-6,8-13,24,29H,2-3,7,14-20H2,1H3
InChIKey JJAPANZDGHTBJO-UHFFFAOYSA-N
Molecular Weight 406.570 g/mol
SMILES C(C1=CC=C(C=C1)OCCCN1CCC(CC1)C(CCCC)(C1=CC=CC=C1)O)#N