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5-hydroxy-3-[4-(2,5,5-trimethylpyrrolidin-2-yl)benzoyl]-2-[4-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]chromen-4-one
SpectraBase Compound ID IK022WN1hyb
InChI InChI=1S/C36H40N2O4/c1-33(2)18-20-35(5,37-33)24-14-10-22(11-15-24)30(40)29-31(41)28-26(39)8-7-9-27(28)42-32(29)23-12-16-25(17-13-23)36(6)21-19-34(3,4)38-36/h7-17,37-39H,18-21H2,1-6H3
InChIKey GEGVPUPERYDKNG-UHFFFAOYSA-N
Mol Weight 564.7 g/mol
Molecular Formula C36H40N2O4
Exact Mass 564.298808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5KTZdd7big
Name 5-hydroxy-3-[4-(2,5,5-trimethylpyrrolidin-2-yl)benzoyl]-2-[4-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]chromen-4-one
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40N2O4
InChI InChI=1S/C36H40N2O4/c1-33(2)18-20-35(5,37-33)24-14-10-22(11-15-24)30(40)29-31(41)28-26(39)8-7-9-27(28)42-32(29)23-12-16-25(17-13-23)36(6)21-19-34(3,4)38-36/h7-17,37-39H,18-21H2,1-6H3
InChIKey GEGVPUPERYDKNG-UHFFFAOYSA-N
Instrument Name VG TRIO-2
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.721
Molecular Weight 564.726 g/mol
SMILES Oc1c2c(OC(=C(C(c3ccc(C4(NC(CC4)(C)C)C)cc3)=O)C2=O)c2ccc(C3(CCC(C)(C)N3)C)cc2)ccc1
SPLASH splash10-0002-0000090000-8b34abd624bea2f38f90
Source of Spectrum ARK-2004-273-13c
Wiley ID 1876024