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5-Isopropyl-2-hydroxy-3,7-bis(4-nitrobenzyloxy)tropone
SpectraBase Compound ID A3yQoUtmHsa
InChI InChI=1S/C24H22N2O8/c1-15(2)18-11-21(33-13-16-3-7-19(8-4-16)25(29)30)23(27)24(28)22(12-18)34-14-17-5-9-20(10-6-17)26(31)32/h3-12,15H,13-14H2,1-2H3,(H,27,28)
InChIKey WGMSYEUEWQYYEN-UHFFFAOYSA-N
Mol Weight 466.45 g/mol
Molecular Formula C24H22N2O8
Exact Mass 466.137616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bx7ycv5oTuu
Name 5-Isopropyl-2-hydroxy-3,7-bis(4-nitrobenzyloxy)tropone
Alternate Name(s) 2-Hydroxy-5-isopropyl-3,7-bis[(4-nitrobenzyl)oxy]-2,4,6-cycloheptatrien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N2O8
InChI InChI=1S/C24H22N2O8/c1-15(2)18-11-21(33-13-16-3-7-19(8-4-16)25(29)30)23(27)24(28)22(12-18)34-14-17-5-9-20(10-6-17)26(31)32/h3-12,15H,13-14H2,1-2H3,(H,27,28)
InChIKey WGMSYEUEWQYYEN-UHFFFAOYSA-N
Molecular Weight 466.446 g/mol
SMILES OC=1C(C(=CC(=CC1OCc1ccc(N(=O)=O)cc1)C(C)C)OCc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-00li-4904100000-b526ad82b4c2e1a472c7
Source of Spectrum AJ-64-3311-25
Wiley ID 1391912