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7-(.alpha-Hydroxy-4-nitrobenzyl)-2,3-bis(4-nitrobenzyloxy)tropone
SpectraBase Compound ID GBC5CzWxpqj
InChI InChI=1S/C28H21N3O10/c32-26(20-8-14-23(15-9-20)31(38)39)24-2-1-3-25(40-16-18-4-10-21(11-5-18)29(34)35)28(27(24)33)41-17-19-6-12-22(13-7-19)30(36)37/h1-15,26,32H,16-17H2
InChIKey PSZTVXMSFNCZJE-UHFFFAOYSA-N
Mol Weight 559.49 g/mol
Molecular Formula C28H21N3O10
Exact Mass 559.122694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eq9tlyaPje
Name 7-(.alpha-Hydroxy-4-nitrobenzyl)-2,3-bis(4-nitrobenzyloxy)tropone
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Formula C28H21N3O10
InChI InChI=1S/C28H21N3O10/c32-26(20-8-14-23(15-9-20)31(38)39)24-2-1-3-25(40-16-18-4-10-21(11-5-18)29(34)35)28(27(24)33)41-17-19-6-12-22(13-7-19)30(36)37/h1-15,26,32H,16-17H2
InChIKey PSZTVXMSFNCZJE-UHFFFAOYSA-N
Molecular Weight 559.487 g/mol
SMILES OC(C=1C(C(=C(OCc2ccc(N(=O)=O)cc2)C=CC1)OCc1ccc(N(=O)=O)cc1)=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-0fe0-0900200000-5cbe10924cae3fd3c62b
Source of Spectrum AJ-64-3311-30
Synonyms 7-(..alpha.-hydroxy-4-nitrobenzyl)-2,3-bis(4-nitrobenzyloxy)tropone 7-[hydroxy(4-nitrophenyl)methyl]-2,3-bis[(4-nitrobenzyl)oxy]-2,4,6-cycloheptatrien-1-one
Wiley ID 1406647