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2,7-Bis(.alpha.-hydroxy-4-nitrobenzyl)tropone isomer
SpectraBase Compound ID ApGCQOKM95
InChI InChI=1S/C21H16N2O7/c24-19(13-5-9-15(10-6-13)22(27)28)17-3-1-2-4-18(21(17)26)20(25)14-7-11-16(12-8-14)23(29)30/h1-12,19-20,24-25H
InChIKey ISDIBHFESADCOM-UHFFFAOYSA-N
Mol Weight 408.37 g/mol
Molecular Formula C21H16N2O7
Exact Mass 408.095751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cgPilzXIZB
Name 2,7-Bis(.alpha.-hydroxy-4-nitrobenzyl)tropone isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O7
InChI InChI=1S/C21H16N2O7/c24-19(13-5-9-15(10-6-13)22(27)28)17-3-1-2-4-18(21(17)26)20(25)14-7-11-16(12-8-14)23(29)30/h1-12,19-20,24-25H
InChIKey ISDIBHFESADCOM-UHFFFAOYSA-N
Molecular Weight 408.366 g/mol
SMILES OC(C=1C(C(C(c2ccc(N(=O)=O)cc2)O)=CC=CC1)=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-0006-1209000000-87f4f5eb3501cf034006
Source of Spectrum AJ-64-3311-27
Synonyms 2,7-Bis(.alpha.-hydroxy-4-nitrobenzyl)tropone 2,7-bis[hydroxy(4-nitrophenyl)methyl]-2,4,6-cycloheptatrien-1-one
Wiley ID 1372855