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6-Nitro-4-phenylchroman-2-one
SpectraBase Compound ID CAW9kgXTm8f
InChI InChI=1S/C15H11NO4/c17-15-9-12(10-4-2-1-3-5-10)13-8-11(16(18)19)6-7-14(13)20-15/h1-8,12H,9H2
InChIKey DYQWQFSARVBUPS-UHFFFAOYSA-N
Mol Weight 269.26 g/mol
Molecular Formula C15H11NO4
Exact Mass 269.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eug8suEmmP0
Name 6-Nitro-4-phenylchroman-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NO4
InChI InChI=1S/C15H11NO4/c17-15-9-12(10-4-2-1-3-5-10)13-8-11(16(18)19)6-7-14(13)20-15/h1-8,12H,9H2
InChIKey DYQWQFSARVBUPS-UHFFFAOYSA-N
Instrument Name Waters GCT Premier
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/acs.joc.1c01887
Molecular Weight 269.256 g/mol
SMILES c1([N+](=O)[O-])cc2c(cc1)OC(CC2c1ccccc1)=O
SPLASH splash10-0v00-0590000000-14b17422cca30f1f5e79
Source of Spectrum JOC-87-SM44-8d
Wiley ID 1884180