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1-benzyl-2-ethyl-5-methoxy-3-[(4-nitrophenoxy)methyl]indole-4,7-dione
SpectraBase Compound ID 1CvzqKa9jSs
InChI InChI=1S/C25H22N2O6/c1-3-20-19(15-33-18-11-9-17(10-12-18)27(30)31)23-24(21(28)13-22(32-2)25(23)29)26(20)14-16-7-5-4-6-8-16/h4-13H,3,14-15H2,1-2H3
InChIKey HAEJCGOZIBMJEG-UHFFFAOYSA-N
Mol Weight 446.46 g/mol
Molecular Formula C25H22N2O6
Exact Mass 446.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGpx1Bo2uap
Name 1-benzyl-2-ethyl-5-methoxy-3-[(4-nitrophenoxy)methyl]indole-4,7-dione
Alternate Name(s) 1-benzyl-2-ethyl-5-methoxy-3-[(4-nitrophenoxy)methyl]indole-4,7-quinone 2-ethyl-5-methoxy-3-[(4-nitrophenoxy)methyl]-1-(phenylmethyl)indole-4,7-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N2O6
InChI InChI=1S/C25H22N2O6/c1-3-20-19(15-33-18-11-9-17(10-12-18)27(30)31)23-24(21(28)13-22(32-2)25(23)29)26(20)14-16-7-5-4-6-8-16/h4-13H,3,14-15H2,1-2H3
InChIKey HAEJCGOZIBMJEG-UHFFFAOYSA-N
Molecular Weight 446.459 g/mol
SMILES c1([n](c2C(C=C(C(c2c1COc1ccc(cc1)N(=O)=O)=O)OC)=O)Cc1ccccc1)CC
SPLASH splash10-0006-9002000000-03b1d4dad7f6a8f498e9
Source of Spectrum K-2001-858-41
Wiley ID 1580388