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4-(3'-Buten-1'-yl)-3,9-dioxo-11-hydroxy-2-[(p-methoxy)phenyl-methylene]-4,8-diazabicyclo[10.3.1]hexadeca-10,12,14,1(16)-tetraene
SpectraBase Compound ID E2t1Oqkxhxs
InChI InChI=1S/C26H28N2O4/c1-3-4-14-28-15-6-13-27-25(30)18-24(29)21-8-5-7-20(17-21)23(26(28)31)16-19-9-11-22(32-2)12-10-19/h3,5,7-12,16-18,29H,1,4,6,13-15H2,2H3,(H,27,30)/b23-16-,24-18+
InChIKey BQCGQCMFWKMIPO-CVQHLUTOSA-N
Mol Weight 432.52 g/mol
Molecular Formula C26H28N2O4
Exact Mass 432.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79RYQOilUOD
Name 4-(3'-Buten-1'-yl)-3,9-dioxo-11-hydroxy-2-[(p-methoxy)phenyl-methylene]-4,8-diazabicyclo[10.3.1]hexadeca-10,12,14,1(16)-tetraene
Alternate Name(s) (2Z)-4-(3-butenyl)-11-hydroxy-2-(4-methoxybenzylidene)-4,8-diazabicyclo[10.3.1]hexadeca-1(16),10,12,14-tetraene-3,9-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N2O4
InChI InChI=1S/C26H28N2O4/c1-3-4-14-28-15-6-13-27-25(30)18-24(29)21-8-5-7-20(17-21)23(26(28)31)16-19-9-11-22(32-2)12-10-19/h3,5,7-12,16-18,29H,1,4,6,13-15H2,2H3,(H,27,30)/b23-16-,24-18+
InChIKey BQCGQCMFWKMIPO-CVQHLUTOSA-N
Molecular Weight 432.520 g/mol
SMILES N1C(\C=C\(c2cc(\C(C(N(CCC1)CCC=C)=O)=C\c1ccc(cc1)OC)ccc2)O)=O
SPLASH splash10-0a6r-0869000000-dd95a5f5988dd212ed4d
Source of Spectrum H-61-2668-0
Wiley ID 1382399