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1,2-Diphenyl-4-n-butyl-4-xanthen-9-yl-pyrazolidin-3,5-dione
SpectraBase Compound ID JoVM0aSbrQ4
InChI InChI=1S/C32H28N2O3/c1-2-3-22-32(29-25-18-10-12-20-27(25)37-28-21-13-11-19-26(28)29)30(35)33(23-14-6-4-7-15-23)34(31(32)36)24-16-8-5-9-17-24/h4-21,29H,2-3,22H2,1H3
InChIKey CVPRQMOZWZABTR-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C32H28N2O3
Exact Mass 488.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WzZElWha78
Name 1,2-Diphenyl-4-n-butyl-4-xanthen-9-yl-pyrazolidin-3,5-dione
Alternate Name(s) 4-Butyl-1,2-diphenyl-4-(9H-xanthen-9-yl)pyrazolidine-3,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H28N2O3
InChI InChI=1S/C32H28N2O3/c1-2-3-22-32(29-25-18-10-12-20-27(25)37-28-21-13-11-19-26(28)29)30(35)33(23-14-6-4-7-15-23)34(31(32)36)24-16-8-5-9-17-24/h4-21,29H,2-3,22H2,1H3
InChIKey CVPRQMOZWZABTR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19863190814
Molecular Weight 488.587 g/mol
SMILES C1(c2ccccc2Oc2ccccc12)C1(C(N(N(C1=O)c1ccccc1)c1ccccc1)=O)CCCC
SPLASH splash10-001i-1900000000-550b398ac68a2d591252
Source of Spectrum APC-319-765-11
Wiley ID 1788307