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5-Oxo-4-(4'-chlorophenyl)-2-(p-nitrophenyl)-7,7-dimethyl-5,6,7,8-tetrahydro-4H-benzo[b]pyran
SpectraBase Compound ID 7ZrtXWi1sfz
InChI InChI=1S/C23H20ClNO4/c1-23(2)12-19(26)22-18(14-3-7-16(24)8-4-14)11-20(29-21(22)13-23)15-5-9-17(10-6-15)25(27)28/h3-11,18H,12-13H2,1-2H3
InChIKey FQSLZEFWECCXTD-UHFFFAOYSA-N
Mol Weight 409.87 g/mol
Molecular Formula C23H20ClNO4
Exact Mass 409.108086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFCFax2gMYV
Name 5-Oxo-4-(4'-chlorophenyl)-2-(p-nitrophenyl)-7,7-dimethyl-5,6,7,8-tetrahydro-4H-benzo[b]pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20ClNO4
InChI InChI=1S/C23H20ClNO4/c1-23(2)12-19(26)22-18(14-3-7-16(24)8-4-14)11-20(29-21(22)13-23)15-5-9-17(10-6-15)25(27)28/h3-11,18H,12-13H2,1-2H3
InChIKey FQSLZEFWECCXTD-UHFFFAOYSA-N
Molecular Weight 409.869 g/mol
SMILES C12=C(OC(=CC2c2ccc(cc2)Cl)c2ccc(N(=O)=O)cc2)CC(CC1=O)(C)C
SPLASH splash10-0a4i-0109600000-f5c6bad5bb37a64017b1
Source of Spectrum AH-84-1057-3
Synonyms 4-(4-Chlorophenyl)-7,7-dimethyl-2-(4-nitrophenyl)-4,6,7,8-tetrahydro-5H-chromen-5-one 4-(4-Chlorophenyl)-7,7-dimethyl-2-(4-nitrophenyl)-6,8-dihydro-4H-1-benzopyran-5-one
Wiley ID 1584723