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2,7-Bis(.alpha-hydroxy-4-nitrobenzyl)-4-isopropyltropone
SpectraBase Compound ID AtJ3LGpFDAy
InChI InChI=1S/C24H22N2O7/c1-14(2)17-7-12-20(22(27)15-3-8-18(9-4-15)25(30)31)24(29)21(13-17)23(28)16-5-10-19(11-6-16)26(32)33/h3-14,22-23,27-28H,1-2H3
InChIKey OAZLYHLJMMIHKB-UHFFFAOYSA-N
Mol Weight 450.45 g/mol
Molecular Formula C24H22N2O7
Exact Mass 450.142701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12129magT0V
Name 2,7-Bis(.alpha-hydroxy-4-nitrobenzyl)-4-isopropyltropone
Alternate Name(s) 2,7-Bis(.alpha-hydroxy-4-nitrobenzyl)-4-isopropyltropone isomer 2,7-bis(..alpha.-hydroxy-4-nitrobenzyl)-4-isopropyltropone 2,7-bis(..alpha.-hydroxy-4-nitrobenzyl)-4-isopropyltropone isomer 2,7-bis[hydroxy(4-nitrophenyl)methyl]-4-isopropyl-2,4,6-cycloheptatrien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N2O7
InChI InChI=1S/C24H22N2O7/c1-14(2)17-7-12-20(22(27)15-3-8-18(9-4-15)25(30)31)24(29)21(13-17)23(28)16-5-10-19(11-6-16)26(32)33/h3-14,22-23,27-28H,1-2H3
InChIKey OAZLYHLJMMIHKB-UHFFFAOYSA-N
Molecular Weight 450.447 g/mol
SMILES OC(C=1C(C(C(c2ccc(N(=O)=O)cc2)O)=CC(=CC1)C(C)C)=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-0f8a-1510900000-0abbc2c688047d7d6d45
Source of Spectrum AJ-64-3312-34
Wiley ID 1387662