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3-(2-Methyl-4-nitrophenyl)-2H-chromen-2-one
SpectraBase Compound ID EJHXOANcIvR
InChI InChI=1S/C16H11NO4/c1-10-8-12(17(19)20)6-7-13(10)14-9-11-4-2-3-5-15(11)21-16(14)18/h2-9H,1H3
InChIKey OBGHPOMRBVPWLM-UHFFFAOYSA-N
Mol Weight 281.27 g/mol
Molecular Formula C16H11NO4
Exact Mass 281.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0yGSUYfjOQ
Name 3-(2-Methyl-4-nitrophenyl)-2H-chromen-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.068807834 u
Formula C16H11NO4
InChI InChI=1S/C16H11NO4/c1-10-8-12(17(19)20)6-7-13(10)14-9-11-4-2-3-5-15(11)21-16(14)18/h2-9H,1H3
InChIKey OBGHPOMRBVPWLM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302778d
Quality 165
SMILES C1=CC2=C(C=C1)OC(C(=C2)C1=CC=C(C=C1C)[N+]([O-])=O)=O
SPLASH splash10-0abl-9000000000-945ca4e6c8e6c5467644
Source of Spectrum JOC-78-2961-3l (DOI: 10.1021/jo302778d)
Wiley ID 1912456