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2-phenyl-4H-3,1-benzoxazin-4-one

View entire compound with spectra: 8 NMR, 3 FTIR, 1 Raman, and 15 MS (GC)

2-phenyl-4H-3,1-benzoxazin-4-one
SpectraBase Compound ID I77cHDbrajp
InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
InChIKey HTTLBYITFHMYFK-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C14H9NO2
Exact Mass 223.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIW3n7rxnKz
Name Bentranil
Source of Sample Sigma-Aldrich Cat. #37872
CAS Registry Number 1022-46-4
Classification Pesticides: Herbicides
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 223.063328532 u
Formula C14H9NO2
InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
InChIKey HTTLBYITFHMYFK-UHFFFAOYSA-N
Molecular Weight 223.231 g/mol
Number of Peaks 47
RI1 2069
SMILES c1ccc(cc1)C1=Nc2ccccc2C(=O)O1
SPLASH splash10-05di-6940000000-6898c97a09b32d27061b
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 4H-3,1-Benzoxazin-4-one, 2-phenyl-
Wiley ID LM_PEST_670