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5-Oxo-4-(3'-nitrophenyl)-2-phenyl-7,7-dimethyl-5,6,7,8-tetrahydro-4H-benzo[b]pyran
SpectraBase Compound ID IJQYLXySzpG
InChI InChI=1S/C23H21NO4/c1-23(2)13-19(25)22-18(16-9-6-10-17(11-16)24(26)27)12-20(28-21(22)14-23)15-7-4-3-5-8-15/h3-12,18H,13-14H2,1-2H3
InChIKey IMVSMODKFKRPKR-UHFFFAOYSA-N
Mol Weight 375.42 g/mol
Molecular Formula C23H21NO4
Exact Mass 375.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxExPFh038U
Name 5-Oxo-4-(3'-nitrophenyl)-2-phenyl-7,7-dimethyl-5,6,7,8-tetrahydro-4H-benzo[b]pyran
Alternate Name(s) 7,7-Dimethyl-4-(3-nitrophenyl)-2-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21NO4
InChI InChI=1S/C23H21NO4/c1-23(2)13-19(25)22-18(16-9-6-10-17(11-16)24(26)27)12-20(28-21(22)14-23)15-7-4-3-5-8-15/h3-12,18H,13-14H2,1-2H3
InChIKey IMVSMODKFKRPKR-UHFFFAOYSA-N
Molecular Weight 375.424 g/mol
SMILES C12=C(OC(=CC2c2cc(N(=O)=O)ccc2)c2ccccc2)CC(CC1=O)(C)C
SPLASH splash10-0pb9-0149000000-dc72aba913b0bcce3a88
Source of Spectrum AH-84-1057-3
Wiley ID 1584722