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5-Isopropyl-2,3,7-tris(4-nitrobenzyloxy)tropone
SpectraBase Compound ID 1y4JG3Xkzjh
InChI InChI=1S/C31H27N3O10/c1-20(2)24-15-28(42-17-21-3-9-25(10-4-21)32(36)37)30(35)31(44-19-23-7-13-27(14-8-23)34(40)41)29(16-24)43-18-22-5-11-26(12-6-22)33(38)39/h3-16,20H,17-19H2,1-2H3
InChIKey SCVQUQDYSIZPCJ-UHFFFAOYSA-N
Mol Weight 601.57 g/mol
Molecular Formula C31H27N3O10
Exact Mass 601.169644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yEGzEeTrHM
Name 5-Isopropyl-2,3,7-tris(4-nitrobenzyloxy)tropone
Alternate Name(s) 5-isopropyl-2,3,7-tris[(4-nitrobenzyl)oxy]-2,4,6-cycloheptatrien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27N3O10
InChI InChI=1S/C31H27N3O10/c1-20(2)24-15-28(42-17-21-3-9-25(10-4-21)32(36)37)30(35)31(44-19-23-7-13-27(14-8-23)34(40)41)29(16-24)43-18-22-5-11-26(12-6-22)33(38)39/h3-16,20H,17-19H2,1-2H3
InChIKey SCVQUQDYSIZPCJ-UHFFFAOYSA-N
Molecular Weight 601.568 g/mol
SMILES C=1(C(C(=CC(=CC1OCc1ccc(N(=O)=O)cc1)C(C)C)OCc1ccc(N(=O)=O)cc1)=O)OCc1ccc(N(=O)=O)cc1
SPLASH splash10-0gb9-0904200000-ec56225bbf5452503bd5
Source of Spectrum AJ-64-3310-23
Wiley ID 1410229