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4H-1-benzopyran-4-one, 7-[2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethoxy]-3-phenyl-
SpectraBase Compound ID Ky1C88Dyzd8
InChI InChI=1S/C28H24ClNO5/c29-21-8-6-20(7-9-21)28(33)12-14-30(15-13-28)26(31)18-34-22-10-11-23-25(16-22)35-17-24(27(23)32)19-4-2-1-3-5-19/h1-11,16-17,33H,12-15,18H2
InChIKey XXAXOWWLRSSSPN-UHFFFAOYSA-N
Mol Weight 489.96 g/mol
Molecular Formula C28H24ClNO5
Exact Mass 489.134301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1OxQc24UZb7
Name 4H-1-Benzopyran-4-one, 7-[2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethoxy]-3-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.134300572 u
Formula C28H24ClNO5
InChI InChI=1S/C28H24ClNO5/c29-21-8-6-20(7-9-21)28(33)12-14-30(15-13-28)26(31)18-34-22-10-11-23-25(16-22)35-17-24(27(23)32)19-4-2-1-3-5-19/h1-11,16-17,33H,12-15,18H2
InChIKey XXAXOWWLRSSSPN-UHFFFAOYSA-N
Molecular Weight 489.955 g/mol
SMILES OC1(CCN(C(COC=2C=C3OC=C(C(C3=CC2)=O)C=2C=CC=CC2)=O)CC1)C=1C=CC(=CC1)Cl