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9-(4-methoxy-3-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

View entire compound with spectra: 2 NMR

9-(4-methoxy-3-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID 40RctqQsgSE
InChI InChI=1S/C36H44N2O5/c1-35(2)18-26(39)33-30(20-35)43-31-21-36(3,4)19-27(40)34(31)32(33)23-11-12-28(41-5)24(17-23)22-37-13-15-38(16-14-37)25-9-7-8-10-29(25)42-6/h7-12,17,32H,13-16,18-22H2,1-6H3
InChIKey PJNJPHVPJKIZEA-UHFFFAOYSA-N
Mol Weight 584.8 g/mol
Molecular Formula C36H44N2O5
Exact Mass 584.325023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbHvuztYykE
Name 9-(4-Methoxy-3-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 584.325022520 u
Formula C36H44N2O5
InChI InChI=1S/C36H44N2O5/c1-35(2)18-26(39)33-30(20-35)43-31-21-36(3,4)19-27(40)34(31)32(33)23-11-12-28(41-5)24(17-23)22-37-13-15-38(16-14-37)25-9-7-8-10-29(25)42-6/h7-12,17,32H,13-16,18-22H2,1-6H3
InChIKey PJNJPHVPJKIZEA-UHFFFAOYSA-N
Molecular Weight 584.757 g/mol
SMILES C1=2C(C=3C(CC(CC3OC2CC(CC1=O)(C)C)(C)C)=O)C=1C=C(CN2CCN(CC2)C2=C(OC)C=CC=C2)C(=CC1)OC