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3-(3',4',5'-Trimethoxyphenyl)-5-[N-(4"-bromophenyl)]-4,6-dioxopyrrolo[3,4-d]-7,8-dihydroisoxazole
SpectraBase Compound ID LomNyI7pRrF
InChI InChI=1S/C20H17BrN2O6/c1-26-13-8-10(9-14(27-2)17(13)28-3)16-15-18(29-22-16)20(25)23(19(15)24)12-6-4-11(21)5-7-12/h4-9,15,18H,1-3H3
InChIKey XAIGGBQQVRXFPW-UHFFFAOYSA-N
Mol Weight 461.27 g/mol
Molecular Formula C20H17BrN2O6
Exact Mass 460.026999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2oKYD30jBm
Name 3-(3',4',5'-Trimethoxyphenyl)-5-[N-(4"-bromophenyl)]-4,6-dioxopyrrolo[3,4-d]-7,8-dihydroisoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17BrN2O6
InChI InChI=1S/C20H17BrN2O6/c1-26-13-8-10(9-14(27-2)17(13)28-3)16-15-18(29-22-16)20(25)23(19(15)24)12-6-4-11(21)5-7-12/h4-9,15,18H,1-3H3
InChIKey XAIGGBQQVRXFPW-UHFFFAOYSA-N
Molecular Weight 461.268 g/mol
SMILES C12C(C(=O)N(C2=O)c2ccc(cc2)Br)C(c2cc(OC)c(c(c2)OC)OC)=NO1
SPLASH splash10-00di-0961700000-61a6fd43554fa9e16ad8
Source of Spectrum Y1-40-272-3
Wiley ID 1528192