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1-Homoveratryl-3-[4-(4-methoxyphenyl)piperazino]pyrrolidine-2,5-quinone
SpectraBase Compound ID 1qmTKM0ljEs
InChI InChI=1S/C25H31N3O5/c1-31-20-7-5-19(6-8-20)26-12-14-27(15-13-26)21-17-24(29)28(25(21)30)11-10-18-4-9-22(32-2)23(16-18)33-3/h4-9,16,21H,10-15,17H2,1-3H3
InChIKey BKXPHEILLJNLNP-UHFFFAOYSA-N
Mol Weight 453.54 g/mol
Molecular Formula C25H31N3O5
Exact Mass 453.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FuWb1aFyYG
Name 1-Homoveratryl-3-[4-(4-methoxyphenyl)piperazino]pyrrolidine-2,5-quinone
Alternate Name(s) 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)-1-piperazinyl]pyrrolidine-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31N3O5
InChI InChI=1S/C25H31N3O5/c1-31-20-7-5-19(6-8-20)26-12-14-27(15-13-26)21-17-24(29)28(25(21)30)11-10-18-4-9-22(32-2)23(16-18)33-3/h4-9,16,21H,10-15,17H2,1-3H3
InChIKey BKXPHEILLJNLNP-UHFFFAOYSA-N
Molecular Weight 453.539 g/mol
SMILES COc1ccc(N2CCN(C3C(N(C(C3)=O)CCc3cc(OC)c(cc3)OC)=O)CC2)cc1
SPLASH splash10-114r-4900000000-bc68a3387c7996423ef4
Wiley ID 1457911