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4-(4-Chlorophenyl)-7-methyl-2-(4-nitrophenyl)-2H,5H-pyrano[3,2-c]pyran-5-one
SpectraBase Compound ID 8zedcZH1hDP
InChI InChI=1S/C21H14ClNO5/c1-12-10-19-20(21(24)27-12)17(13-2-6-15(22)7-3-13)11-18(28-19)14-4-8-16(9-5-14)23(25)26/h2-11,18H,1H3
InChIKey BCFLKTVCRQACCX-UHFFFAOYSA-N
Mol Weight 395.8 g/mol
Molecular Formula C21H14ClNO5
Exact Mass 395.05605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBhHnma1lst
Name 4-(4-Chlorophenyl)-7-methyl-2-(4-nitrophenyl)-2H,5H-pyrano[3,2-c]pyran-5-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14ClNO5
InChI InChI=1S/C21H14ClNO5/c1-12-10-19-20(21(24)27-12)17(13-2-6-15(22)7-3-13)11-18(28-19)14-4-8-16(9-5-14)23(25)26/h2-11,18H,1H3
InChIKey BCFLKTVCRQACCX-UHFFFAOYSA-N
Molecular Weight 395.798 g/mol
SMILES C1=2C(=CC(OC2C=C(OC1=O)C)c1ccc(N(=O)=O)cc1)c1ccc(cc1)Cl
SPLASH splash10-0002-2009000000-3ca940b759069fa0f6c0
Source of Spectrum F-48-1704-27
Synonyms 4-(4-chlorophenyl)-7-methyl-2-(4-nitrophenyl)-2H,5H-pyrano[4,3-b]pyran-5-one
Wiley ID 1367022