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2',4'-Dihydroxy-3'-(alpha-piperidinobenzyl)acetophenone
SpectraBase Compound ID 20ejuSdOPKS
InChI InChI=1S/C20H23NO3/c1-14(22)16-10-11-17(23)18(20(16)24)19(15-8-4-2-5-9-15)21-12-6-3-7-13-21/h2,4-5,8-11,19,23-24H,3,6-7,12-13H2,1H3
InChIKey DEFIHAASWLDTJC-UHFFFAOYSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjLJSn2kALJ
Name 2',4'-Dihydroxy-3'-(alpha-piperidinobenzyl)acetophenone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.167793602 u
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-14(22)16-10-11-17(23)18(20(16)24)19(15-8-4-2-5-9-15)21-12-6-3-7-13-21/h2,4-5,8-11,19,23-24H,3,6-7,12-13H2,1H3
InChIKey DEFIHAASWLDTJC-UHFFFAOYSA-N
SMILES OC1=C(C(=C(C=C1)C(C)=O)O)C(N1CCCCC1)C1=CC=CC=C1