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2,3-bis[2'-(4'-Methylphenylamino)-3'-oxocyclopentehn-1'-yl)-5-methyl-1,4-benzoquinone
SpectraBase Compound ID 3tkURYIUV5
InChI InChI=1S/C31H28N2O4/c1-17-4-8-20(9-5-17)32-29-22(12-14-24(29)34)27-26(36)16-19(3)31(37)28(27)23-13-15-25(35)30(23)33-21-10-6-18(2)7-11-21/h4-11,16,32-33H,12-15H2,1-3H3
InChIKey SDASPSFFLPOJGW-UHFFFAOYSA-N
Mol Weight 492.58 g/mol
Molecular Formula C31H28N2O4
Exact Mass 492.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDrju0egxDR
Name 2,3-bis[2'-(4'-Methylphenylamino)-3'-oxocyclopentehn-1'-yl)-5-methyl-1,4-benzoquinone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28N2O4
InChI InChI=1S/C31H28N2O4/c1-17-4-8-20(9-5-17)32-29-22(12-14-24(29)34)27-26(36)16-19(3)31(37)28(27)23-13-15-25(35)30(23)33-21-10-6-18(2)7-11-21/h4-11,16,32-33H,12-15H2,1-3H3
InChIKey SDASPSFFLPOJGW-UHFFFAOYSA-N
Molecular Weight 492.575 g/mol
SMILES N(C1=C(C2=C(C3=C(C(CC3)=O)Nc3ccc(cc3)C)C(C=C(C2=O)C)=O)CCC1=O)c1ccc(cc1)C
SPLASH splash10-0006-9040100000-8dda120e5bd06b4cb840
Source of Spectrum D8-326-418-6
Wiley ID 1514888